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NCID-ZINC01583387

 MMsINC code: MMs02240283
Type: Neutral
Formula: C10H14N4O
SMILES:   O=C(Nc1ccc(N=NN(C)C)cc1)C
InChI:   InChI=1/C10H14N4O/c1-8(15)11-9-4-6-10(7-5-9)12-13-14(2)3/h4-7H,1-3H3,(H,11,15)/b13-12+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.249 g/mol  logS: -1.43614  SlogP: 2.2053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148441  Sterimol/B1: 2.52938  Sterimol/B2: 2.60984  Sterimol/B3: 2.99558
  Sterimol/B4: 4.96169  Sterimol/L: 15.0743 
 
 Surface and Volume Properties
  Accessible surface: 455.373  Positive charged surface: 327.555  Negative charged surface: 127.818  Volume: 208.5
  Hydrophobic surface: 402.737  Hydrophilic surface: 52.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02240284
NCID-ZINC01583387