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NCID-ZINC01730135

 MMsINC code: MMs02353158
Type: Neutral
Formula: C25H18O
SMILES:   OC(c1c2c(cc3c1cccc3)cccc2)c1c2c(ccc1)cccc2
InChI:   InChI=1/C25H18O/c26-25(23-15-7-11-17-8-1-4-12-20(17)23)24-21-13-5-2-9-18(21)16-19-10-3-6-14-22(19)24/h1-16,25-26H/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.418 g/mol  logS: -8.55744  SlogP: 6.3234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235301  Sterimol/B1: 2.13122  Sterimol/B2: 2.44741  Sterimol/B3: 6.08549
  Sterimol/B4: 9.36051  Sterimol/L: 12.5421 
 
 Surface and Volume Properties
  Accessible surface: 537.827  Positive charged surface: 269.085  Negative charged surface: 244.938  Volume: 333.125
  Hydrophobic surface: 504.177  Hydrophilic surface: 33.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.