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PUBCHEM-ZINC06488442

 MMsINC code: MMs03763180
Type: Neutral
Formula: C15H24O4
SMILES:   O1C2OC3(OC24C(CCC(C4CC3)C)C(C)C1O)C
InChI:   InChI=1/C15H24O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-13,16H,4-7H2,1-3H3/t8-,9+,10+,11+,12+,13-,14-,15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.353 g/mol  logS: -2.94963  SlogP: 2.2551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250344  Sterimol/B1: 3.4587  Sterimol/B2: 3.77593  Sterimol/B3: 4.13753
  Sterimol/B4: 5.81273  Sterimol/L: 11.084 
 
 Surface and Volume Properties
  Accessible surface: 438.802  Positive charged surface: 335.766  Negative charged surface: 103.036  Volume: 256.375
  Hydrophobic surface: 318.588  Hydrophilic surface: 120.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.