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CHEMDIV-ZINC00214579

 MMsINC code: MMs00841416
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CCC(=O)N1CC(CC(C1)C)C
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)/t8-,9+

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Potential Energy
Epot(MMFF94)=8.41278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -0.57449  SlogP: 1.3557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0636769  Sterimol/B1: 2.10198  Sterimol/B2: 2.85726  Sterimol/B3: 3.23035
  Sterimol/B4: 7.18508  Sterimol/L: 13.8457 
 
 Surface and Volume Properties
  Accessible surface: 443.46  Positive charged surface: 320.737  Negative charged surface: 122.722  Volume: 215.75
  Hydrophobic surface: 272.377  Hydrophilic surface: 171.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00841417
CHEMDIV-ZINC00214579