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APOLLO-ZINC02557616

 MMsINC code: MMs00053487
Type: Neutral
Formula: C25H35O3P
SMILES:   P1(Oc2c(cc(cc2C(C)(C)C)C)Cc2c(O1)c(cc(c2)C)C(C)(C)C)OCC
InChI:   InChI=1/C25H35O3P/c1-10-26-29-27-22-18(11-16(2)13-20(22)24(4,5)6)15-19-12-17(3)14-21(23(19)28-29)25(7,8)9/h11-14H,10,15H2,1-9H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=248.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.526 g/mol  logS: -8.26432  SlogP: 7.52381  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.228521  Sterimol/B1: 2.34781  Sterimol/B2: 3.68324  Sterimol/B3: 6.35603
  Sterimol/B4: 8.27697  Sterimol/L: 14.1844 
 
 Surface and Volume Properties
  Accessible surface: 635.136  Positive charged surface: 441.85  Negative charged surface: 193.286  Volume: 422.625
  Hydrophobic surface: 532.957  Hydrophilic surface: 102.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.