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PUBCHEM-ZINC03618271

 MMsINC code: MMs03023590
Type: Neutral
Formula: C20H30O
SMILES:   OCC1(C2CCc3c(ccc(c3)C(C)C)C2(CCC1)C)C
InChI:   InChI=1/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19+,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.3 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.459 g/mol  logS: -6.17298  SlogP: 4.81257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116714  Sterimol/B1: 2.72729  Sterimol/B2: 4.43464  Sterimol/B3: 4.55031
  Sterimol/B4: 4.92382  Sterimol/L: 15.2278 
 
 Surface and Volume Properties
  Accessible surface: 527.006  Positive charged surface: 384.261  Negative charged surface: 142.745  Volume: 315.5
  Hydrophobic surface: 410.081  Hydrophilic surface: 116.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.