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CHEMBRIDGE-ZINC04948096

 MMsINC code: MMs00812618
Type: Neutral
Formula: C25H34N2O2
SMILES:   O=C(N(CCCCC)CCCCC)c1ccccc1C(=O)NCc1ccccc1
InChI:   InChI=1/C25H34N2O2/c1-3-5-12-18-27(19-13-6-4-2)25(29)23-17-11-10-16-22(23)24(28)26-20-21-14-8-7-9-15-21/h7-11,14-17H,3-6,12-13,18-20H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.6255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.559 g/mol  logS: -6.45789  SlogP: 5.7056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14289  Sterimol/B1: 2.34749  Sterimol/B2: 3.19832  Sterimol/B3: 6.84783
  Sterimol/B4: 11.2135  Sterimol/L: 19.9779 
 
 Surface and Volume Properties
  Accessible surface: 769.102  Positive charged surface: 519.557  Negative charged surface: 249.546  Volume: 425
  Hydrophobic surface: 674.058  Hydrophilic surface: 95.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.