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PUBCHEM-ZINC05114637

 MMsINC code: MMs03202885
Type: Neutral
Formula: C10H16N2O2
SMILES:   O=C1N(CCCCCC)C(=O)NC=C1
InChI:   InChI=1/C10H16N2O2/c1-2-3-4-5-8-12-9(13)6-7-11-10(12)14/h6-7H,2-5,8H2,1H3,(H,11,14)

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Potential Energy
Epot(MMFF94)=-14.6117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.25 g/mol  logS: -2.3817  SlogP: 1.6322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687438  Sterimol/B1: 2.11979  Sterimol/B2: 3.9527  Sterimol/B3: 3.9782
  Sterimol/B4: 4.00554  Sterimol/L: 14.7176 
 
 Surface and Volume Properties
  Accessible surface: 424.81  Positive charged surface: 286.502  Negative charged surface: 138.308  Volume: 198.25
  Hydrophobic surface: 298.426  Hydrophilic surface: 126.384
 
 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.