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IBS-ZINC03864902

 MMsINC code: MMs01871116
Type: Neutral
Formula: C24H47O4P
SMILES:   P(OC1CC(CCC1C(C)C)C)(OC1CC(CCC1C(C)C)C)(=O)C(O)C(C)C
InChI:   InChI=1/C24H47O4P/c1-15(2)20-11-9-18(7)13-22(20)27-29(26,24(25)17(5)6)28-23-14-19(8)10-12-21(23)16(3)4/h15-25H,9-14H2,1-8H3/t18-,19+,20-,21-,22-,23-,24+,29-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.61 g/mol  logS: -6.45746  SlogP: 6.0385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264828  Sterimol/B1: 4.18566  Sterimol/B2: 4.80466  Sterimol/B3: 4.96631
  Sterimol/B4: 7.81797  Sterimol/L: 14.0935 
 
 Surface and Volume Properties
  Accessible surface: 639.465  Positive charged surface: 477.971  Negative charged surface: 161.493  Volume: 450.75
  Hydrophobic surface: 504.669  Hydrophilic surface: 134.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.