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


NCID-ZINC01556675

 MMsINC code: MMs02220082
Type: Neutral
Formula: C15H24N5O3P
SMILES:   P(OC1CC(N(O)C(C1)(C)C)(C)C)(=O)(n1ccnc1)n1ccnc1
InChI:   InChI=1/C15H24N5O3P/c1-14(2)9-13(10-15(3,4)20(14)21)23-24(22,18-7-5-16-11-18)19-8-6-17-12-19/h5-8,11-13,21H,9-10H2,1-4H3

Download   format file 
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)=83.4173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.363 g/mol  logS: -1.59735  SlogP: 1.9413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183599  Sterimol/B1: 2.30346  Sterimol/B2: 3.74733  Sterimol/B3: 4.42368
  Sterimol/B4: 8.07254  Sterimol/L: 14.3403 
 
 Surface and Volume Properties
  Accessible surface: 560.631  Positive charged surface: 392.282  Negative charged surface: 168.35  Volume: 330
  Hydrophobic surface: 380.256  Hydrophilic surface: 180.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.