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NCID-ZINC05105315

 MMsINC code: MMs02441642
Type: Ionized
Formula: C14H21N2O4-
SMILES:   O=C1N(CC(=O)[O-])C(=O)NC12CC(CCC2C(C)C)C
InChI:   InChI=1/C14H22N2O4/c1-8(2)10-5-4-9(3)6-14(10)12(19)16(7-11(17)18)13(20)15-14/h8-10H,4-7H2,1-3H3,(H,15,20)(H,17,18)/p-1/t9-,10+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=26.6035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.332 g/mol  logS: -3.50935  SlogP: 0.1191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230982  Sterimol/B1: 2.90493  Sterimol/B2: 3.57448  Sterimol/B3: 3.98772
  Sterimol/B4: 7.19385  Sterimol/L: 12.7424 
 
 Surface and Volume Properties
  Accessible surface: 477.065  Positive charged surface: 313.217  Negative charged surface: 163.848  Volume: 271
  Hydrophobic surface: 278.751  Hydrophilic surface: 198.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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:


MMs02441641
NCID-ZINC05105315