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OTAVA-ZINC05012562

 MMsINC code: MMs02587095
Type: Neutral
Formula: C18H12Cl2N2O3
SMILES:   Clc1cc(ccc1Cl)-c1oc(cc1)C(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C18H12Cl2N2O3/c19-13-7-6-12(10-14(13)20)15-8-9-16(25-15)18(24)22-21-17(23)11-4-2-1-3-5-11/h1-10H,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=84.6757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.211 g/mol  logS: -7.19873  SlogP: 4.3282  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.82602e-07  Sterimol/B1: 2.09721  Sterimol/B2: 2.10293  Sterimol/B3: 4.53518
  Sterimol/B4: 5.69781  Sterimol/L: 20.3328 
 
 Surface and Volume Properties
  Accessible surface: 609.257  Positive charged surface: 248.46  Negative charged surface: 360.797  Volume: 320.625
  Hydrophobic surface: 506.924  Hydrophilic surface: 102.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.