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CHEMDIV-ZINC06865914

 MMsINC code: MMs01048285
Type: Neutral
Formula: C18H18ClN3O4
SMILES:   Clc1cc(NC(=O)NCc2noc3c2cc(cc3)C)c(OC)cc1OC
InChI:   InChI=1/C18H18ClN3O4/c1-10-4-5-15-11(6-10)14(22-26-15)9-20-18(23)21-13-7-12(19)16(24-2)8-17(13)25-3/h4-8H,9H2,1-3H3,(H2,20,21,23)

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Potential Energy
Epot(MMFF94)=74.823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.812 g/mol  logS: -5.15101  SlogP: 4.39492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572042  Sterimol/B1: 2.4943  Sterimol/B2: 3.61064  Sterimol/B3: 5.89283
  Sterimol/B4: 7.03948  Sterimol/L: 18.9376 
 
 Surface and Volume Properties
  Accessible surface: 645.61  Positive charged surface: 402.619  Negative charged surface: 238.493  Volume: 334.25
  Hydrophobic surface: 541.992  Hydrophilic surface: 103.618
 
 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.