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PUBCHEM-ZINC05979458

 MMsINC code: MMs03474856
Type: Neutral
Formula: C7H13NO2
SMILES:   O1CCCC1C(=O)NCC
InChI:   InChI=1/C7H13NO2/c1-2-8-7(9)6-4-3-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=24.1929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.78534  SlogP: 0.3015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744745  Sterimol/B1: 2.76205  Sterimol/B2: 2.90832  Sterimol/B3: 3.05805
  Sterimol/B4: 4.0863  Sterimol/L: 11.7913 
 
 Surface and Volume Properties
  Accessible surface: 349.395  Positive charged surface: 268.119  Negative charged surface: 81.2759  Volume: 147.5
  Hydrophobic surface: 265.463  Hydrophilic surface: 83.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.