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NCID-ZINC05105316

 MMsINC code: MMs02441644
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+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.1313 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: 0.197213  Sterimol/B1: 2.52853  Sterimol/B2: 3.65476  Sterimol/B3: 4.29352
  Sterimol/B4: 7.20562  Sterimol/L: 13.5989 
 
 Surface and Volume Properties
  Accessible surface: 478.38  Positive charged surface: 302.749  Negative charged surface: 175.63  Volume: 268
  Hydrophobic surface: 271.486  Hydrophilic surface: 206.894
 
 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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MMs02441643
NCID-ZINC05105316