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NCID-ZINC01685321

 MMsINC code: MMs02318505
Type: Neutral
Formula: C14H18N2O2
SMILES:   O(C)c1cc2c([nH]c(C)c2CC(=O)N(C)C)cc1
InChI:   InChI=1/C14H18N2O2/c1-9-11(8-14(17)16(2)3)12-7-10(18-4)5-6-13(12)15-9/h5-7,15H,8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.5736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.31 g/mol  logS: -2.14016  SlogP: 2.11559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840064  Sterimol/B1: 2.27312  Sterimol/B2: 3.18794  Sterimol/B3: 3.90154
  Sterimol/B4: 7.83893  Sterimol/L: 13.5146 
 
 Surface and Volume Properties
  Accessible surface: 493.118  Positive charged surface: 376.746  Negative charged surface: 112.511  Volume: 251.25
  Hydrophobic surface: 434.513  Hydrophilic surface: 58.605
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.