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PUBCHEM-ZINC02032911

 MMsINC code: MMs02859648
Type: Neutral
Formula: C11H18N2O3
SMILES:   O=C1N(CC(=O)C(N)CC(C)C)C(=O)CC1
InChI:   InChI=1/C11H18N2O3/c1-7(2)5-8(12)9(14)6-13-10(15)3-4-11(13)16/h7-8H,3-6,12H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=19.2882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.276 g/mol  logS: -1.53924  SlogP: 0.0779  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0964909  Sterimol/B1: 2.22837  Sterimol/B2: 3.34261  Sterimol/B3: 4.45744
  Sterimol/B4: 4.94067  Sterimol/L: 13.7334 
 
 Surface and Volume Properties
  Accessible surface: 450.63  Positive charged surface: 291.018  Negative charged surface: 159.611  Volume: 223.625
  Hydrophobic surface: 250.953  Hydrophilic surface: 199.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02859649
PUBCHEM-ZINC02032911