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APOLLO-ZINC04287554

 MMsINC code: MMs00058419
Type: Neutral
Formula: C11H10N2O
SMILES:   O\N=C(\N)/c1cc2c(cc1)cccc2
InChI:   InChI=1/C11H10N2O/c12-11(13-14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,14H,(H2,12,13)

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Potential Energy
Epot(MMFF94)=52.3574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.214 g/mol  logS: -3.3301  SlogP: 1.9343  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.23661e-07  Sterimol/B1: 2.09724  Sterimol/B2: 2.09794  Sterimol/B3: 4.12486
  Sterimol/B4: 4.33752  Sterimol/L: 12.5929 
 
 Surface and Volume Properties
  Accessible surface: 386.891  Positive charged surface: 208.854  Negative charged surface: 166.966  Volume: 180
  Hydrophobic surface: 257.389  Hydrophilic surface: 129.502
 
 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.