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ASINEX-ZINC04256860

 MMsINC code: MMs00321987
Type: Neutral
Formula: C14H10ClNO3
SMILES:   Clc1c2c3c(cc1)C(=O)N(CCO)C(=O)c3ccc2
InChI:   InChI=1/C14H10ClNO3/c15-11-5-4-10-12-8(11)2-1-3-9(12)13(18)16(6-7-17)14(10)19/h1-5,17H,6-7H2

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Potential Energy
Epot(MMFF94)=53.7438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.691 g/mol  logS: -4.34436  SlogP: 2.0815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618176  Sterimol/B1: 2.52222  Sterimol/B2: 3.04863  Sterimol/B3: 3.18799
  Sterimol/B4: 7.2487  Sterimol/L: 13.2957 
 
 Surface and Volume Properties
  Accessible surface: 445.256  Positive charged surface: 235.403  Negative charged surface: 198.781  Volume: 234.75
  Hydrophobic surface: 343.846  Hydrophilic surface: 101.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.