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CHEMBRIDGE-ZINC02881613

 MMsINC code: MMs00734197
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(C2CCCCC2)C(=O)c2c1cc(NC(=O)CCc1ccccc1)cc2
InChI:   InChI=1/C23H24N2O3/c26-21(14-11-16-7-3-1-4-8-16)24-17-12-13-19-20(15-17)23(28)25(22(19)27)18-9-5-2-6-10-18/h1,3-4,7-8,12-13,15,18H,2,5-6,9-11,14H2,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.9903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.31925  SlogP: 4.18657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327196  Sterimol/B1: 2.79871  Sterimol/B2: 3.50694  Sterimol/B3: 3.91784
  Sterimol/B4: 6.19287  Sterimol/L: 21.883 
 
 Surface and Volume Properties
  Accessible surface: 669.547  Positive charged surface: 424.74  Negative charged surface: 244.807  Volume: 367.625
  Hydrophobic surface: 559.477  Hydrophilic surface: 110.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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
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Ions/Tautomers related molecules: no related molecules available.