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NCID-ZINC01640387

 MMsINC code: MMs02282425
Type: Neutral
Formula: C34H33P3
SMILES:   P(CCP(CCP(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2

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Potential Energy
Epot(MMFF94)=133.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 534.56 g/mol  logS: -7.69344  SlogP: 7.0596  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0621012  Sterimol/B1: 2.52339  Sterimol/B2: 3.25029  Sterimol/B3: 5.00033
  Sterimol/B4: 12.2123  Sterimol/L: 20.7831 
 
 Surface and Volume Properties
  Accessible surface: 892.571  Positive charged surface: 485.732  Negative charged surface: 406.838  Volume: 549.875
  Hydrophobic surface: 879.805  Hydrophilic surface: 12.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.