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CHEMDIV-ZINC00214584

 MMsINC code: MMs00841419
Type: Ionized
Formula: C11H18NO3-
SMILES:   O=C(N1CC(CC(C1)C)C)CCC(=O)[O-]
InChI:   InChI=1/C11H19NO3/c1-8-5-9(2)7-12(6-8)10(13)3-4-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/p-1/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=12.5556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.269 g/mol  logS: -0.83494  SlogP: 0.021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135215  Sterimol/B1: 2.19359  Sterimol/B2: 3.11112  Sterimol/B3: 3.89212
  Sterimol/B4: 7.00846  Sterimol/L: 12.7071 
 
 Surface and Volume Properties
  Accessible surface: 431.157  Positive charged surface: 296.193  Negative charged surface: 134.964  Volume: 216.5
  Hydrophobic surface: 272.059  Hydrophilic surface: 159.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00841418
CHEMDIV-ZINC00214584