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NCID-ZINC05249322

 MMsINC code: MMs02450490
Type: Ionized
Formula: C10H16FN2O3-
SMILES:   FCCNC(=O)NC1CCC(CC1)C(=O)[O-]
InChI:   InChI=1/C10H17FN2O3/c11-5-6-12-10(16)13-8-3-1-7(2-4-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)/p-1/t7-,8+

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Potential Energy
Epot(MMFF94)=-15.6742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.247 g/mol  logS: -0.89671  SlogP: -0.4362  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.155288  Sterimol/B1: 2.95101  Sterimol/B2: 3.39871  Sterimol/B3: 4.73305
  Sterimol/B4: 5.19951  Sterimol/L: 12.7695 
 
 Surface and Volume Properties
  Accessible surface: 439.342  Positive charged surface: 292.896  Negative charged surface: 146.446  Volume: 211.125
  Hydrophobic surface: 264.276  Hydrophilic surface: 175.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:


MMs02450489
NCID-ZINC05249322