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AURORAFEINCHEMIE-ZINC03956979

 MMsINC code: MMs00458701
Type: Neutral
Formula: C30H25O5P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChI:   InChI=1/C30H25O5P/c1-6-16-26(17-7-1)31-36(32-27-18-8-2-9-19-27,33-28-20-10-3-11-21-28,34-29-22-12-4-13-23-29)35-30-24-14-5-15-25-30/h1-25H

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Potential Energy
Epot(MMFF94)=405.025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.499 g/mol  logS: -8.77418  SlogP: 8.5097  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.555378  Sterimol/B1: 2.47621  Sterimol/B2: 4.87955  Sterimol/B3: 7.12454
  Sterimol/B4: 12.6323  Sterimol/L: 14.3585 
 
 Surface and Volume Properties
  Accessible surface: 696.146  Positive charged surface: 370.372  Negative charged surface: 325.774  Volume: 469.125
  Hydrophobic surface: 686.682  Hydrophilic surface: 9.4639999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.