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CHEMBLOCK-ZINC00052009

 MMsINC code: MMs00489511
Type: Ionized
Formula: C9H14NO3-
SMILES:   O=C([O-])C1CCN(CC1)C(=O)CC
InChI:   InChI=1/C9H15NO3/c1-2-8(11)10-5-3-7(4-6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=10.9309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.215 g/mol  logS: -0.4314  SlogP: -0.6151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11093  Sterimol/B1: 2.81788  Sterimol/B2: 3.58615  Sterimol/B3: 3.88952
  Sterimol/B4: 4.04428  Sterimol/L: 12.069 
 
 Surface and Volume Properties
  Accessible surface: 380.299  Positive charged surface: 259.861  Negative charged surface: 120.438  Volume: 180.875
  Hydrophobic surface: 243.363  Hydrophilic surface: 136.936
 
 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:


MMs00489510
CHEMBLOCK-ZINC00052009