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KEYORGANICS-ZINC01382111

 MMsINC code: MMs02094018
Type: Neutral
Formula: C19H13Cl2N3O
SMILES:   Clc1cc2n(Cc3ccccc3)c(nc2cc1Cl)C=1C=CC(=O)NC=1
InChI:   InChI=1/C19H13Cl2N3O/c20-14-8-16-17(9-15(14)21)24(11-12-4-2-1-3-5-12)19(23-16)13-6-7-18(25)22-10-13/h1-10H,11H2,(H,22,25)

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Potential Energy
Epot(MMFF94)=75.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.239 g/mol  logS: -5.84984  SlogP: 4.6847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163416  Sterimol/B1: 2.38561  Sterimol/B2: 2.75661  Sterimol/B3: 4.60857
  Sterimol/B4: 9.00407  Sterimol/L: 15.2572 
 
 Surface and Volume Properties
  Accessible surface: 564.226  Positive charged surface: 243.26  Negative charged surface: 320.966  Volume: 323.125
  Hydrophobic surface: 455.031  Hydrophilic surface: 109.195
 
 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.