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ASINEX-ZINC00346709

 MMsINC code: MMs00121897
Type: Neutral
Formula: C11H10ClN3O2
SMILES:   Clc1ccc(cc1)Cn1cc([N+](=O)[O-])nc1C
InChI:   InChI=1/C11H10ClN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3

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Potential Energy
Epot(MMFF94)=66.4988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.673 g/mol  logS: -3.47908  SlogP: 3.06782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149199  Sterimol/B1: 2.20892  Sterimol/B2: 3.62314  Sterimol/B3: 3.94325
  Sterimol/B4: 6.87914  Sterimol/L: 13.6553 
 
 Surface and Volume Properties
  Accessible surface: 443.254  Positive charged surface: 183.641  Negative charged surface: 259.613  Volume: 218.625
  Hydrophobic surface: 301.642  Hydrophilic surface: 141.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.