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NCID-ZINC05249322

 MMsINC code: MMs02450489
Type: Neutral
Formula: C10H17FN2O3
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)/t7-,8+

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Potential Energy
Epot(MMFF94)=-9.2876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.255 g/mol  logS: -0.63626  SlogP: 0.8985  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.127145  Sterimol/B1: 2.26251  Sterimol/B2: 3.75707  Sterimol/B3: 4.6706
  Sterimol/B4: 4.88427  Sterimol/L: 13.6138 
 
 Surface and Volume Properties
  Accessible surface: 443.618  Positive charged surface: 311.517  Negative charged surface: 132.102  Volume: 211.125
  Hydrophobic surface: 263.614  Hydrophilic surface: 180.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02450490
NCID-ZINC05249322