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NCID-ZINC01667288

 MMsINC code: MMs02303463
Type: Neutral
Formula: C18H20O
SMILES:   OC(C)c1c2CCc3ccc(CCc(c1)cc2)cc3
InChI:   InChI=1/C18H20O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13,19H,6-8,10H2,1H3/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=254.148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.357 g/mol  logS: -4.82021  SlogP: 3.71908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.296035  Sterimol/B1: 2.37054  Sterimol/B2: 3.01597  Sterimol/B3: 4.57004
  Sterimol/B4: 6.67683  Sterimol/L: 11.0413 
 
 Surface and Volume Properties
  Accessible surface: 416.398  Positive charged surface: 275.027  Negative charged surface: 141.371  Volume: 256.375
  Hydrophobic surface: 363.811  Hydrophilic surface: 52.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.