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NCID-ZINC01613161

MMsINC code: MMs02263339

Type: Neutral
Formula: C14H13NO2
SMILES:   O(C(=O)NCc1ccccc1)c1ccccc1
InChI:   InChI=1/C14H13NO2/c16-14(17-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=36.6587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.263 g/mol  logS: -3.34016  SlogP: 3.2416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029032  Sterimol/B1: 2.17446  Sterimol/B2: 3.56426  Sterimol/B3: 3.7318
  Sterimol/B4: 3.82253  Sterimol/L: 16.1712 
 
 Surface and Volume Properties
  Accessible surface: 478.114  Positive charged surface: 272.528  Negative charged surface: 205.586  Volume: 226.875
  Hydrophobic surface: 413.869  Hydrophilic surface: 64.245
 
 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.