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IBS-ZINC02274788

 MMsINC code: MMs01821404
Type: Neutral
Formula: C10H14N4O2
SMILES:   O=C(NCCCC(=O)NN)c1cccnc1
InChI:   InChI=1/C10H14N4O2/c11-14-9(15)4-2-6-13-10(16)8-3-1-5-12-7-8/h1,3,5,7H,2,4,6,11H2,(H,13,16)(H,14,15)

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Potential Energy
Epot(MMFF94)=56.524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.248 g/mol  logS: -0.61505  SlogP: -0.4185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104114  Sterimol/B1: 2.35833  Sterimol/B2: 2.47649  Sterimol/B3: 3.67941
  Sterimol/B4: 3.89384  Sterimol/L: 16.667 
 
 Surface and Volume Properties
  Accessible surface: 461.321  Positive charged surface: 330.243  Negative charged surface: 131.078  Volume: 211.625
  Hydrophobic surface: 267.607  Hydrophilic surface: 193.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.