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CHEMDIV-ZINC03909499

 MMsINC code: MMs00920539
Type: Neutral
Formula: C19H15ClN2O3
SMILES:   Clc1cc(NC(=O)c2noc-3c2CCc2cc(OC)ccc2-3)ccc1
InChI:   InChI=1/C19H15ClN2O3/c1-24-14-6-8-15-11(9-14)5-7-16-17(22-25-18(15)16)19(23)21-13-4-2-3-12(20)10-13/h2-4,6,8-10H,5,7H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=103.199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.793 g/mol  logS: -5.86634  SlogP: 4.35444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112783  Sterimol/B1: 2.96956  Sterimol/B2: 3.01285  Sterimol/B3: 3.73444
  Sterimol/B4: 5.15426  Sterimol/L: 19.786 
 
 Surface and Volume Properties
  Accessible surface: 583.296  Positive charged surface: 336.541  Negative charged surface: 246.755  Volume: 314.125
  Hydrophobic surface: 505.274  Hydrophilic surface: 78.022
 
 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.