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OTAVA-ZINC01941813

MMsINC code: MMs02571547

Type: Neutral
Formula: C25H22O3
SMILES:   O1c2c(cc(cc2)C)C(=O)C(OCc2ccccc2C)=C1c1ccc(cc1)C
InChI:   InChI=1/C25H22O3/c1-16-8-11-19(12-9-16)24-25(27-15-20-7-5-4-6-18(20)3)23(26)21-14-17(2)10-13-22(21)28-24/h4-14H,15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=111.743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.448 g/mol  logS: -7.82456  SlogP: 6.03896  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10213  Sterimol/B1: 2.4492  Sterimol/B2: 4.30287  Sterimol/B3: 4.38957
  Sterimol/B4: 9.54216  Sterimol/L: 16.4655 
 
 Surface and Volume Properties
  Accessible surface: 660.832  Positive charged surface: 388.817  Negative charged surface: 272.014  Volume: 375.875
  Hydrophobic surface: 624.994  Hydrophilic surface: 35.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1

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Ions/Tautomers related molecules: no related molecules available.