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NCID-ZINC01687207

 MMsINC code: MMs02319902
Type: Neutral
Formula: C12H25NO2
SMILES:   OC(CNC(=O)CC(CC(C)(C)C)C)C
InChI:   InChI=1/C12H25NO2/c1-9(7-12(3,4)5)6-11(15)13-8-10(2)14/h9-10,14H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=63.6734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.337 g/mol  logS: -3.18823  SlogP: 1.9458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647799  Sterimol/B1: 2.007  Sterimol/B2: 2.82685  Sterimol/B3: 4.03085
  Sterimol/B4: 5.12263  Sterimol/L: 15.8355 
 
 Surface and Volume Properties
  Accessible surface: 476.447  Positive charged surface: 348.971  Negative charged surface: 127.476  Volume: 240.25
  Hydrophobic surface: 310.399  Hydrophilic surface: 166.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.