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PUBCHEM-ZINC06415522

 MMsINC code: MMs03716563
Type: Neutral
Formula: C10H19NO2
SMILES:   O1CCCC1C(=O)NC(CCC)C
InChI:   InChI=1/C10H19NO2/c1-3-5-8(2)11-10(12)9-6-4-7-13-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=27.9858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.82954  SlogP: 1.4702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895254  Sterimol/B1: 2.48487  Sterimol/B2: 2.99275  Sterimol/B3: 3.84406
  Sterimol/B4: 6.1355  Sterimol/L: 13.176 
 
 Surface and Volume Properties
  Accessible surface: 426.555  Positive charged surface: 321.265  Negative charged surface: 105.29  Volume: 199.875
  Hydrophobic surface: 332.638  Hydrophilic surface: 93.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.