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PUBCHEM-ZINC02035530

 MMsINC code: MMs02861039
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(=O)C(C(CCCC)C(=O)N)(C)C
InChI:   InChI=1/C10H19NO3/c1-4-5-6-7(8(11)12)10(2,3)9(13)14/h7H,4-6H2,1-3H3,(H2,11,12)(H,13,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=21.9005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.77975  SlogP: 1.3889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146474  Sterimol/B1: 3.03582  Sterimol/B2: 3.71923  Sterimol/B3: 4.56872
  Sterimol/B4: 5.03996  Sterimol/L: 12.208 
 
 Surface and Volume Properties
  Accessible surface: 415.156  Positive charged surface: 286.443  Negative charged surface: 128.712  Volume: 204.25
  Hydrophobic surface: 207.019  Hydrophilic surface: 208.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02861040
PUBCHEM-ZINC02035530