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PUBCHEM-ZINC05907346

 MMsINC code: MMs03439203
Type: Neutral
Formula: C11H20N2O4
SMILES:   O1CCN(CC1)C(=O)NC(C(CC)C)C(O)=O
InChI:   InChI=1/C11H20N2O4/c1-3-8(2)9(10(14)15)12-11(16)13-4-6-17-7-5-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=33.3811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -1.03163  SlogP: 0.5275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156224  Sterimol/B1: 2.39617  Sterimol/B2: 2.93547  Sterimol/B3: 4.13425
  Sterimol/B4: 7.19648  Sterimol/L: 13.2289 
 
 Surface and Volume Properties
  Accessible surface: 462.913  Positive charged surface: 343.039  Negative charged surface: 119.874  Volume: 237.125
  Hydrophobic surface: 302.822  Hydrophilic surface: 160.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03439204
PUBCHEM-ZINC05907346