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BACHEM-ZINC02579053

 MMsINC code: MMs00484541
Type: Neutral
Formula: C10H21NO2
SMILES:   O(C(C)(C)C)C(=O)C(N)CC(C)C
InChI:   InChI=1/C10H21NO2/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.6067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -2.23112  SlogP: 1.7015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145493  Sterimol/B1: 2.50987  Sterimol/B2: 2.99818  Sterimol/B3: 4.45708
  Sterimol/B4: 5.19692  Sterimol/L: 12.4959 
 
 Surface and Volume Properties
  Accessible surface: 432.894  Positive charged surface: 314.53  Negative charged surface: 118.363  Volume: 209
  Hydrophobic surface: 271.878  Hydrophilic surface: 161.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.