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PUBCHEM-ZINC05116955

 MMsINC code: MMs03204598
Type: Neutral
Formula: C10H14N6O2
SMILES:   O=C1N=C(Nc2[nH]cc(c12)C(=O)NCCCN)N
InChI:   InChI=1/C10H14N6O2/c11-2-1-3-13-8(17)5-4-14-7-6(5)9(18)16-10(12)15-7/h4H,1-3,11H2,(H,13,17)(H4,12,14,15,16,18)

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Potential Energy
Epot(MMFF94)=0.894534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.262 g/mol  logS: -0.9324  SlogP: -1.0263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00947747  Sterimol/B1: 2.38956  Sterimol/B2: 2.40634  Sterimol/B3: 2.56597
  Sterimol/B4: 5.95301  Sterimol/L: 16.8797 
 
 Surface and Volume Properties
  Accessible surface: 470.38  Positive charged surface: 332.744  Negative charged surface: 137.636  Volume: 222.25
  Hydrophobic surface: 154.284  Hydrophilic surface: 316.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03204599
PUBCHEM-ZINC05116955