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CHEMBRIDGE-ZINC00752266

 MMsINC code: MMs00642812
Type: Neutral
Formula: C26H26N2O
SMILES:   O=C(N1CCN(CC1)C\C=C\c1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C26H26N2O/c29-26(25-15-13-24(14-16-25)23-11-5-2-6-12-23)28-20-18-27(19-21-28)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2/b10-7+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.507 g/mol  logS: -6.17185  SlogP: 4.8248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353073  Sterimol/B1: 3.14392  Sterimol/B2: 4.08539  Sterimol/B3: 4.17239
  Sterimol/B4: 4.67641  Sterimol/L: 23.2847 
 
 Surface and Volume Properties
  Accessible surface: 706.393  Positive charged surface: 420.035  Negative charged surface: 274.875  Volume: 396.75
  Hydrophobic surface: 659.059  Hydrophilic surface: 47.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00642813
CHEMBRIDGE-ZINC00752266