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ASINEX-ZINC00143433

 MMsINC code: MMs00082051
Type: Ionized
Formula: C10H16NO3-
SMILES:   O=C(NC1CCCCC1)CCC(=O)[O-]
InChI:   InChI=1/C10H17NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=-1.10794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.242 g/mol  logS: -1.25438  SlogP: -0.0346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653513  Sterimol/B1: 2.76908  Sterimol/B2: 3.32221  Sterimol/B3: 3.53458
  Sterimol/B4: 3.8296  Sterimol/L: 14.5427 
 
 Surface and Volume Properties
  Accessible surface: 422.266  Positive charged surface: 292.258  Negative charged surface: 130.008  Volume: 196.125
  Hydrophobic surface: 280.224  Hydrophilic surface: 142.042
 
 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:


MMs00082050
ASINEX-ZINC00143433