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PUBCHEM-ZINC00493238

 MMsINC code: MMs02692804
Type: Neutral
Formula: C10H17NO3
SMILES:   OC(=O)CCC(=O)N1CCC(CC1)C
InChI:   InChI=1/C10H17NO3/c1-8-4-6-11(7-5-8)9(12)2-3-10(13)14/h8H,2-7H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=4.00151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -0.68617  SlogP: 1.1097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707522  Sterimol/B1: 2.52712  Sterimol/B2: 2.92938  Sterimol/B3: 4.1087
  Sterimol/B4: 4.8158  Sterimol/L: 14.135 
 
 Surface and Volume Properties
  Accessible surface: 419.291  Positive charged surface: 309.485  Negative charged surface: 109.807  Volume: 199.25
  Hydrophobic surface: 267.661  Hydrophilic surface: 151.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02692805
PUBCHEM-ZINC00493238