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ASINEX-ZINC02578344

 MMsINC code: MMs00275332
Type: Ionized
Formula: C10H12NO4-
SMILES:   o1c(ccc1C)C(=O)NCCCC(=O)[O-]
InChI:   InChI=1/C10H13NO4/c1-7-4-5-8(15-7)10(14)11-6-2-3-9(12)13/h4-5H,2-3,6H2,1H3,(H,11,14)(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=1.96519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.209 g/mol  logS: -1.93595  SlogP: -0.15208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192091  Sterimol/B1: 2.13567  Sterimol/B2: 2.37124  Sterimol/B3: 2.3739
  Sterimol/B4: 6.47446  Sterimol/L: 14.8696 
 
 Surface and Volume Properties
  Accessible surface: 441.68  Positive charged surface: 257.159  Negative charged surface: 184.521  Volume: 197.25
  Hydrophobic surface: 288.265  Hydrophilic surface: 153.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs00275331
ASINEX-ZINC02578344