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CHEMDIV-ZINC04908541

 MMsINC code: MMs00963786
Type: Neutral
Formula: C18H17ClN4O3
SMILES:   Clc1ccc(cc1)-c1n(nc(N)c1)C(=O)Nc1ccc(OC)cc1OC
InChI:   InChI=1/C18H17ClN4O3/c1-25-13-7-8-14(16(9-13)26-2)21-18(24)23-15(10-17(20)22-23)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H2,20,22)(H,21,24)

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Potential Energy
Epot(MMFF94)=117.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.812 g/mol  logS: -5.02969  SlogP: 3.8831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411666  Sterimol/B1: 2.52747  Sterimol/B2: 3.85124  Sterimol/B3: 4.43363
  Sterimol/B4: 8.97193  Sterimol/L: 14.9107 
 
 Surface and Volume Properties
  Accessible surface: 629.188  Positive charged surface: 401.6  Negative charged surface: 227.588  Volume: 331.75
  Hydrophobic surface: 487.531  Hydrophilic surface: 141.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.