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CHEMDIV-ZINC00811874

 MMsINC code: MMs00858852
Type: Neutral
Formula: C25H26N2O4
SMILES:   O1c2cc(ccc2OC1)CNC(=O)Cn1cc(c2c1cccc2)C(=O)C1CCCCC1
InChI:   InChI=1/C25H26N2O4/c28-24(26-13-17-10-11-22-23(12-17)31-16-30-22)15-27-14-20(19-8-4-5-9-21(19)27)25(29)18-6-2-1-3-7-18/h4-5,8-12,14,18H,1-3,6-7,13,15-16H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.493 g/mol  logS: -5.62379  SlogP: 4.9822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327375  Sterimol/B1: 2.52308  Sterimol/B2: 2.89093  Sterimol/B3: 3.74098
  Sterimol/B4: 10.8776  Sterimol/L: 19.1967 
 
 Surface and Volume Properties
  Accessible surface: 721.192  Positive charged surface: 477.045  Negative charged surface: 238.304  Volume: 404.25
  Hydrophobic surface: 594.195  Hydrophilic surface: 126.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.