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ASINEX-ZINC02836905

 MMsINC code: MMs00278919
Type: Neutral
Formula: C15H15ClN2O3
SMILES:   Clc1ccc(NC(=O)CCC)cc1NC(=O)c1occc1
InChI:   InChI=1/C15H15ClN2O3/c1-2-4-14(19)17-10-6-7-11(16)12(9-10)18-15(20)13-5-3-8-21-13/h3,5-9H,2,4H2,1H3,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=65.6589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.749 g/mol  logS: -4.76717  SlogP: 3.9239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193113  Sterimol/B1: 2.81342  Sterimol/B2: 2.84935  Sterimol/B3: 3.13711
  Sterimol/B4: 7.33444  Sterimol/L: 18.0382 
 
 Surface and Volume Properties
  Accessible surface: 558.402  Positive charged surface: 304.493  Negative charged surface: 253.909  Volume: 277.75
  Hydrophobic surface: 444.151  Hydrophilic surface: 114.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.