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PUBCHEM-ZINC02548224

 MMsINC code: MMs02899116
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(C(C)(C)C)C(=O)N1CC(N)CC1C(O)=O
InChI:   InChI=1/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.75338  SlogP: 0.4077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13797  Sterimol/B1: 1.969  Sterimol/B2: 4.34738  Sterimol/B3: 4.90748
  Sterimol/B4: 5.37187  Sterimol/L: 11.8082 
 
 Surface and Volume Properties
  Accessible surface: 446.831  Positive charged surface: 316.943  Negative charged surface: 129.888  Volume: 219.5
  Hydrophobic surface: 243.406  Hydrophilic surface: 203.425
 
 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: no related molecules available.