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ENAMINE-ZINC03190335

 MMsINC code: MMs01300912
Type: Neutral
Formula: C14H10ClN3O2
SMILES:   Clc1ccc(cc1)Cn1nc2c(cc([N+](=O)[O-])cc2)c1
InChI:   InChI=1/C14H10ClN3O2/c15-12-3-1-10(2-4-12)8-17-9-11-7-13(18(19)20)5-6-14(11)16-17/h1-7,9H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.1967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.706 g/mol  logS: -4.85403  SlogP: 3.9126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949605  Sterimol/B1: 2.89854  Sterimol/B2: 3.59546  Sterimol/B3: 4.72253
  Sterimol/B4: 4.95454  Sterimol/L: 15.7455 
 
 Surface and Volume Properties
  Accessible surface: 498.09  Positive charged surface: 207.26  Negative charged surface: 284.985  Volume: 249.625
  Hydrophobic surface: 372.409  Hydrophilic surface: 125.681
 
 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.