logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC00597427

 MMsINC code: MMs02711285
Type: Neutral
Formula: C25H23N3O7
SMILES:   O(C)c1c(OC)c2[nH]c(cc2cc1OC)C(=O)N1C2=CC(=O)c3[nH]c(cc3C23C(
C3)C1)C(OC)=O
InChI:   InChI=1/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,9-10H2,1-4H3/t12-,25-/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=163.651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.473 g/mol  logS: -4.32916  SlogP: 2.8023  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.039203  Sterimol/B1: 2.9218  Sterimol/B2: 3.40811  Sterimol/B3: 4.74279
  Sterimol/B4: 7.05599  Sterimol/L: 22.9266 
 
 Surface and Volume Properties
  Accessible surface: 757.878  Positive charged surface: 530.929  Negative charged surface: 221.176  Volume: 425.625
  Hydrophobic surface: 550.495  Hydrophilic surface: 207.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.