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CHEMDIV-ZINC06769659

 MMsINC code: MMs01018603
Type: Neutral
Formula: C10H17N3O
SMILES:   O=C(Nc1n(nc(c1)C)C(C)(C)C)C
InChI:   InChI=1/C10H17N3O/c1-7-6-9(11-8(2)14)13(12-7)10(3,4)5/h6H,1-5H3,(H,11,14)

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Potential Energy
Epot(MMFF94)=52.6613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.266 g/mol  logS: -1.53066  SlogP: 2.21642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148006  Sterimol/B1: 2.19887  Sterimol/B2: 3.62359  Sterimol/B3: 3.62498
  Sterimol/B4: 8.15929  Sterimol/L: 10.9039 
 
 Surface and Volume Properties
  Accessible surface: 421.277  Positive charged surface: 273.253  Negative charged surface: 148.024  Volume: 205
  Hydrophobic surface: 327.23  Hydrophilic surface: 94.047
 
 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.