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KEYORGANICS-ZINC00170198

 MMsINC code: MMs02093352
Type: Neutral
Formula: C15H10ClNO3
SMILES:   Clc1ccccc1CON1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C15H10ClNO3/c16-13-8-4-1-5-10(13)9-20-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=72.8504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.702 g/mol  logS: -4.69148  SlogP: 3.3342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677198  Sterimol/B1: 2.51296  Sterimol/B2: 3.98652  Sterimol/B3: 4.00851
  Sterimol/B4: 6.33001  Sterimol/L: 15.8239 
 
 Surface and Volume Properties
  Accessible surface: 503.075  Positive charged surface: 223.992  Negative charged surface: 279.083  Volume: 251.75
  Hydrophobic surface: 411.258  Hydrophilic surface: 91.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.