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PUBCHEM-ZINC05908222

 MMsINC code: MMs03439767
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1CC)C
InChI:   InChI=1/C11H20N2O3/c1-3-9-6-4-5-7-13(9)11(16)12-8(2)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/p-1/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=12.8672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.36497  SlogP: 0.0989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133869  Sterimol/B1: 2.57475  Sterimol/B2: 3.33135  Sterimol/B3: 3.85338
  Sterimol/B4: 7.24786  Sterimol/L: 12.9172 
 
 Surface and Volume Properties
  Accessible surface: 449.793  Positive charged surface: 310.058  Negative charged surface: 139.735  Volume: 224.875
  Hydrophobic surface: 302.522  Hydrophilic surface: 147.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03439766
PUBCHEM-ZINC05908222