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PUBCHEM-ZINC06862795

 MMsINC code: MMs03881018
Type: Neutral
Formula: C10H14N4O3S
SMILES:   s1c([N+](=O)[O-])cnc1NC(=O)NC1CCCCC1
InChI:   InChI=1/C10H14N4O3S/c15-9(12-7-4-2-1-3-5-7)13-10-11-6-8(18-10)14(16)17/h6-7H,1-5H2,(H2,11,12,13,15)

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Potential Energy
Epot(MMFF94)=9.37573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.313 g/mol  logS: -3.47219  SlogP: 2.5055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423689  Sterimol/B1: 2.76016  Sterimol/B2: 2.80376  Sterimol/B3: 3.78721
  Sterimol/B4: 4.43097  Sterimol/L: 16.3135 
 
 Surface and Volume Properties
  Accessible surface: 479.646  Positive charged surface: 294.123  Negative charged surface: 185.523  Volume: 230.625
  Hydrophobic surface: 309.714  Hydrophilic surface: 169.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.