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CHEMBRIDGE-ZINC00565291

 MMsINC code: MMs00632327
Type: Neutral
Formula: C18H15ClN2O2
SMILES:   Clc1c2c(NC(=O)C2(O)c2c3c([nH]c2C)cccc3)c(cc1)C
InChI:   InChI=1/C18H15ClN2O2/c1-9-7-8-12(19)15-16(9)21-17(22)18(15,23)14-10(2)20-13-6-4-3-5-11(13)14/h3-8,20,23H,1-2H3,(H,21,22)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=81.116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.783 g/mol  logS: -4.77278  SlogP: 3.93764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213301  Sterimol/B1: 3.14922  Sterimol/B2: 4.91414  Sterimol/B3: 5.70722
  Sterimol/B4: 6.11541  Sterimol/L: 12.2195 
 
 Surface and Volume Properties
  Accessible surface: 511.772  Positive charged surface: 276.275  Negative charged surface: 233.526  Volume: 295.375
  Hydrophobic surface: 400.495  Hydrophilic surface: 111.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.