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CHEMBRIDGE-ZINC02023794

 MMsINC code: MMs00700503
Type: Neutral
Formula: C30H47O3P
SMILES:   P(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)
(C)C)O
InChI:   InChI=1/C30H47O3P/c1-19-15-21(27(3,4)5)25(22(16-19)28(6,7)8)32-34(31)33-26-23(29(9,10)11)17-20(2)18-24(26)30(12,13)14/h15-18,31H,1-14H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=825.554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.677 g/mol  logS: -10.8468  SlogP: 9.17044  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.391535  Sterimol/B1: 2.45237  Sterimol/B2: 4.14973  Sterimol/B3: 6.63821
  Sterimol/B4: 9.27037  Sterimol/L: 14.6711 
 
 Surface and Volume Properties
  Accessible surface: 679.204  Positive charged surface: 474.089  Negative charged surface: 205.114  Volume: 490
  Hydrophobic surface: 530.145  Hydrophilic surface: 149.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.