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ENAMINE-ZINC01452400

 MMsINC code: MMs01240219
Type: Neutral
Formula: C15H23NO
SMILES:   O=C(NC(C)(C)C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C15H23NO/c1-14(2,3)12-9-7-11(8-10-12)13(17)16-15(4,5)6/h7-10H,1-6H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.9498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.355 g/mol  logS: -4.53222  SlogP: 3.5124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682828  Sterimol/B1: 2.37528  Sterimol/B2: 3.55508  Sterimol/B3: 4.11114
  Sterimol/B4: 4.87395  Sterimol/L: 14.4258 
 
 Surface and Volume Properties
  Accessible surface: 491.416  Positive charged surface: 321.45  Negative charged surface: 169.966  Volume: 261.125
  Hydrophobic surface: 363.722  Hydrophilic surface: 127.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.