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ASINEX-ZINC00451899

 MMsINC code: MMs00135341
Type: Neutral
Formula: C15H14Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)Nc1nc(ccc1)C)C
InChI:   InChI=1/C15H14Cl2N2O2/c1-9-4-3-5-14(18-9)19-15(20)10(2)21-13-7-6-11(16)8-12(13)17/h3-8,10H,1-2H3,(H,18,19,20)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=75.2884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.195 g/mol  logS: -4.59399  SlogP: 4.10282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366891  Sterimol/B1: 2.81597  Sterimol/B2: 3.00376  Sterimol/B3: 3.94911
  Sterimol/B4: 6.6228  Sterimol/L: 17.3881 
 
 Surface and Volume Properties
  Accessible surface: 559.938  Positive charged surface: 266.849  Negative charged surface: 293.089  Volume: 286.25
  Hydrophobic surface: 488.27  Hydrophilic surface: 71.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.