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BACHEM-ZINC04899689

 MMsINC code: MMs00485206
Type: Neutral
Formula: C7H13NO2
SMILES:   O(C(=O)C1NCCCC1)C
InChI:   InChI=1/C7H13NO2/c1-10-7(9)6-4-2-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=23.7652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.5198  SlogP: 0.3015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0989501  Sterimol/B1: 2.85265  Sterimol/B2: 2.9468  Sterimol/B3: 3.55554
  Sterimol/B4: 3.6576  Sterimol/L: 11.2765 
 
 Surface and Volume Properties
  Accessible surface: 338.314  Positive charged surface: 280.597  Negative charged surface: 57.7169  Volume: 146.625
  Hydrophobic surface: 279.382  Hydrophilic surface: 58.932
 
 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


MMs00485207
BACHEM-ZINC04899689