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PUBCHEM-ZINC04556530

 MMsINC code: MMs03133527
Type: Neutral
Formula: C10H21NO2
SMILES:   O(C(C)(C)C)C(=O)C(N)C(CC)C
InChI:   InChI=1/C10H21NO2/c1-6-7(2)8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3/t7-,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.91767  SlogP: 1.7015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146767  Sterimol/B1: 2.52016  Sterimol/B2: 3.20229  Sterimol/B3: 3.6069
  Sterimol/B4: 5.51186  Sterimol/L: 12.449 
 
 Surface and Volume Properties
  Accessible surface: 415.276  Positive charged surface: 293.828  Negative charged surface: 121.448  Volume: 207
  Hydrophobic surface: 264.351  Hydrophilic surface: 150.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.