MMsINC Database Search


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MMsINC code: MMs03382132

Type: Neutral
Formula: C₂₃H₁₈O₂

SMILES:

Oc1cc2c(cc(cc2)C(O)(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C23H18O2/c24-22-14-12-17-15-21(13-11-18(17)16-22)23(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,24-25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.157 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -6.20763	SlogP: 5.1411	Reactive groups: 0

Topological Properties
Globularity: 0.201331	Sterimol/B1: 2.33508	Sterimol/B2: 3.47304	Sterimol/B3: 4.47188
Sterimol/B4: 9.33983	Sterimol/L: 13.7886

Surface and Volume Properties
Accessible surface: 564.296	Positive charged surface: 306.047	Negative charged surface: 249.011	Volume: 324.375
Hydrophobic surface: 491.556	Hydrophilic surface: 72.74

Pharmacophoric Properties
Hydrogen bond donors: 2	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.