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ENAMINE-ZINC06509087

 MMsINC code: MMs01665458
Type: Neutral
Formula: C14H10ClNO2
SMILES:   Clc1cc2c(noc2-c2cc(C)c(O)cc2)cc1
InChI:   InChI=1/C14H10ClNO2/c1-8-6-9(2-5-13(8)17)14-11-7-10(15)3-4-12(11)16-18-14/h2-7,17H,1H3

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Potential Energy
Epot(MMFF94)=81.8229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.692 g/mol  logS: -4.8059  SlogP: 4.16222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499724  Sterimol/B1: 2.72208  Sterimol/B2: 2.96849  Sterimol/B3: 3.73846
  Sterimol/B4: 5.85934  Sterimol/L: 13.4445 
 
 Surface and Volume Properties
  Accessible surface: 454.653  Positive charged surface: 210.91  Negative charged surface: 239.513  Volume: 229.75
  Hydrophobic surface: 372.738  Hydrophilic surface: 81.915
 
 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.