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PUBCHEM-ZINC05275214

 MMsINC code: MMs03229796
Type: Neutral
Formula: C24H38O3
SMILES:   OC1CC2=CC(=O)C3C4CCC(C(CCCO)C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H38O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h14-15,17-20,22,25-26H,4-13H2,1-3H3/t15-,17-,18+,19-,20+,22+,23-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.565 g/mol  logS: -6.19697  SlogP: 4.5139  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0867305  Sterimol/B1: 3.58282  Sterimol/B2: 3.64704  Sterimol/B3: 3.69975
  Sterimol/B4: 7.05791  Sterimol/L: 16.4434 
 
 Surface and Volume Properties
  Accessible surface: 601.926  Positive charged surface: 450.334  Negative charged surface: 151.592  Volume: 384
  Hydrophobic surface: 433.691  Hydrophilic surface: 168.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.