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NCID-ZINC01583552

 MMsINC code: MMs02240405
Type: Neutral
Formula: C15H10N2O2
SMILES:   On1c2c(c3[n+]([O-])c4c(cc13)cccc4)cccc2
InChI:   InChI=1/C15H10N2O2/c18-16-13-8-4-2-6-11(13)15-14(16)9-10-5-1-3-7-12(10)17(15)19/h1-9,18H

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Potential Energy
Epot(MMFF94)=70.0192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.257 g/mol  logS: -4.02655  SlogP: 2.8184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00211422  Sterimol/B1: 2.15282  Sterimol/B2: 2.16118  Sterimol/B3: 4.58697
  Sterimol/B4: 4.62076  Sterimol/L: 14.1802 
 
 Surface and Volume Properties
  Accessible surface: 443.833  Positive charged surface: 201.674  Negative charged surface: 231.61  Volume: 229.625
  Hydrophobic surface: 368.223  Hydrophilic surface: 75.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.