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PUBCHEM-ZINC05849195

 MMsINC code: MMs03415730
Type: Neutral
Formula: C10H16ClN7O
SMILES:   Clc1nc(C(=O)N=C(N)N)c(nc1N(CC)CC)N
InChI:   InChI=1/C10H16ClN7O/c1-3-18(4-2)8-6(11)15-5(7(12)16-8)9(19)17-10(13)14/h3-4H2,1-2H3,(H2,12,16)(H4,13,14,17,19)

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Potential Energy
Epot(MMFF94)=92.9486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.739 g/mol  logS: -1.67371  SlogP: -0.028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131288  Sterimol/B1: 2.38205  Sterimol/B2: 4.50234  Sterimol/B3: 5.09901
  Sterimol/B4: 6.01507  Sterimol/L: 14.493 
 
 Surface and Volume Properties
  Accessible surface: 507.692  Positive charged surface: 334.65  Negative charged surface: 173.042  Volume: 251.875
  Hydrophobic surface: 200.824  Hydrophilic surface: 306.868
 
 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


MMs03415731
PUBCHEM-ZINC05849195