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CHEMDIV-ZINC04991916

 MMsINC code: MMs00977147
Type: Neutral
Formula: C15H12ClNO2
SMILES:   Clc1ccccc1CN1C(O)c2c(cccc2)C1=O
InChI:   InChI=1/C15H12ClNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8,14,18H,9H2/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=59.3255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.719 g/mol  logS: -3.7278  SlogP: 3.3488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130872  Sterimol/B1: 2.84982  Sterimol/B2: 2.95404  Sterimol/B3: 4.62896
  Sterimol/B4: 5.80812  Sterimol/L: 13.128 
 
 Surface and Volume Properties
  Accessible surface: 458.574  Positive charged surface: 252.81  Negative charged surface: 205.764  Volume: 247.125
  Hydrophobic surface: 394.877  Hydrophilic surface: 63.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.