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CHEMDIV-ZINC06875564

MMsINC code: MMs01050930

Type: Neutral
Formula: C15H18N2O2
SMILES:   O=C1N(Cc2c1cccc2)CC(=O)N1CCCCC1
InChI:   InChI=1/C15H18N2O2/c18-14(16-8-4-1-5-9-16)11-17-10-12-6-2-3-7-13(12)15(17)19/h2-3,6-7H,1,4-5,8-11H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=52.8244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.321 g/mol  logS: -2.36815  SlogP: 1.9213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797272  Sterimol/B1: 3.32172  Sterimol/B2: 3.43649  Sterimol/B3: 4.05601
  Sterimol/B4: 4.28147  Sterimol/L: 15.5863 
 
 Surface and Volume Properties
  Accessible surface: 494.915  Positive charged surface: 342.337  Negative charged surface: 152.578  Volume: 255.625
  Hydrophobic surface: 423.671  Hydrophilic surface: 71.244
 
 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: no related molecules available.