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CHEMBRIDGE-ZINC04028351

 MMsINC code: MMs00759989
Type: Neutral
Formula: C7H13NO2
SMILES:   OC(=O)C1NCCCCC1
InChI:   InChI=1/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=32.417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.30924  SlogP: 0.6032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183532  Sterimol/B1: 3.00195  Sterimol/B2: 3.18306  Sterimol/B3: 3.2092
  Sterimol/B4: 4.79343  Sterimol/L: 9.83437 
 
 Surface and Volume Properties
  Accessible surface: 317.544  Positive charged surface: 230.853  Negative charged surface: 86.6908  Volume: 143.75
  Hydrophobic surface: 203.237  Hydrophilic surface: 114.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.