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NCID-ZINC01670557

MMsINC code: MMs02306570

Type: Neutral
Formula: C15H16N2O
SMILES:   O=C(N(Cc1ccccc1)Cc1ccccc1)N
InChI:   InChI=1/C15H16N2O/c16-15(18)17(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,18)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=24.1468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.306 g/mol  logS: -3.14013  SlogP: 3.3003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838975  Sterimol/B1: 3.13771  Sterimol/B2: 3.37651  Sterimol/B3: 3.65626
  Sterimol/B4: 5.97114  Sterimol/L: 14.4051 
 
 Surface and Volume Properties
  Accessible surface: 464.59  Positive charged surface: 269.027  Negative charged surface: 195.563  Volume: 246.75
  Hydrophobic surface: 374.038  Hydrophilic surface: 90.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.