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NANOSIN-ZINC01507225

 MMsINC code: MMs02195380
Type: Neutral
Formula: C19H14ClN3O3
SMILES:   Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N\N=C\c1occc1
InChI:   InChI=1/C19H14ClN3O3/c20-14-9-7-13(8-10-14)18(24)22-17-6-2-1-5-16(17)19(25)23-21-12-15-4-3-11-26-15/h1-12H,(H,22,24)(H,23,25)/b21-12+

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Potential Energy
Epot(MMFF94)=112.926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.792 g/mol  logS: -5.994  SlogP: 3.9492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140421  Sterimol/B1: 2.48818  Sterimol/B2: 2.66314  Sterimol/B3: 2.82981
  Sterimol/B4: 11.8661  Sterimol/L: 17.3009 
 
 Surface and Volume Properties
  Accessible surface: 640.437  Positive charged surface: 302.166  Negative charged surface: 338.271  Volume: 329.875
  Hydrophobic surface: 525.844  Hydrophilic surface: 114.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.