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CHEMBRIDGE-ZINC02485287

 MMsINC code: MMs00710417
Type: Ionized
Formula: C10H17N2O3-
SMILES:   O=C1NC(CCN1)CCCCCC(=O)[O-]
InChI:   InChI=1/C10H18N2O3/c13-9(14)5-3-1-2-4-8-6-7-11-10(15)12-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-28.7275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.257 g/mol  logS: -1.21368  SlogP: -0.2417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442025  Sterimol/B1: 2.46953  Sterimol/B2: 2.82742  Sterimol/B3: 3.10824
  Sterimol/B4: 5.68003  Sterimol/L: 15.417 
 
 Surface and Volume Properties
  Accessible surface: 449.186  Positive charged surface: 317.743  Negative charged surface: 131.443  Volume: 208.625
  Hydrophobic surface: 250.813  Hydrophilic surface: 198.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs00710416
CHEMBRIDGE-ZINC02485287