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PUBCHEM-ZINC00493238

 MMsINC code: MMs02692805
Type: Ionized
Formula: C10H16NO3-
SMILES:   O=C(N1CCC(CC1)C)CCC(=O)[O-]
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)/p-1

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Potential Energy
Epot(MMFF94)=8.28163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.242 g/mol  logS: -0.94662  SlogP: -0.225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087249  Sterimol/B1: 2.527  Sterimol/B2: 3.03881  Sterimol/B3: 4.24574
  Sterimol/B4: 4.76486  Sterimol/L: 13.9313 
 
 Surface and Volume Properties
  Accessible surface: 410.125  Positive charged surface: 284.024  Negative charged surface: 126.101  Volume: 196.5
  Hydrophobic surface: 260.559  Hydrophilic surface: 149.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02692804
PUBCHEM-ZINC00493238