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CHEMSTAR-ZINC00243916

 MMsINC code: MMs01074000
Type: Neutral
Formula: C8H15N3O2
SMILES:   O=C(NC1CCCCC1)NC(=O)N
InChI:   InChI=1/C8H15N3O2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13)

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Potential Energy
Epot(MMFF94)=-26.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.227 g/mol  logS: -1.40999  SlogP: 0.697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667429  Sterimol/B1: 2.86896  Sterimol/B2: 3.37938  Sterimol/B3: 3.49987
  Sterimol/B4: 3.90276  Sterimol/L: 13.3961 
 
 Surface and Volume Properties
  Accessible surface: 393.703  Positive charged surface: 295.794  Negative charged surface: 97.9084  Volume: 174.625
  Hydrophobic surface: 212.258  Hydrophilic surface: 181.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.