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NCID-ZINC05551318

 MMsINC code: MMs02474250
Type: Neutral
Formula: C31H28O2
SMILES:   OC1(CCC=CC1)C(O)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C31H28O2/c32-30(22-8-3-9-23-30)31(33,28-18-14-26(15-19-28)24-10-4-1-5-11-24)29-20-16-27(17-21-29)25-12-6-2-7-13-25/h1-8,10-21,32-33H,9,22-23H2/t30-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=212.83 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.563 g/mol  logS: -8.19429  SlogP: 7.0392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115166  Sterimol/B1: 2.7737  Sterimol/B2: 3.67254  Sterimol/B3: 5.01075
  Sterimol/B4: 11.0712  Sterimol/L: 18.6604 
 
 Surface and Volume Properties
  Accessible surface: 713.576  Positive charged surface: 379.246  Negative charged surface: 311.893  Volume: 440.375
  Hydrophobic surface: 652.309  Hydrophilic surface: 61.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.