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PUBCHEM-ZINC05230477

 MMsINC code: MMs03226141
Type: Neutral
Formula: C27H46O
SMILES:   O=C1C2CCCCC2(C2C(C3CCC(C(CCCC(C)C)C)C3(CC2)C)C1)C
InChI:   InChI=1/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22-,23+,24+,26+,27+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=195.54 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.664 g/mol  logS: -10.9534  SlogP: 7.6768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164052  Sterimol/B1: 2.08704  Sterimol/B2: 3.43321  Sterimol/B3: 5.41436
  Sterimol/B4: 9.35084  Sterimol/L: 14.3172 
 
 Surface and Volume Properties
  Accessible surface: 657.808  Positive charged surface: 489.325  Negative charged surface: 168.483  Volume: 430.375
  Hydrophobic surface: 537.832  Hydrophilic surface: 119.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.