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MMsINC code: MMs03205133

Type: Neutral
Formula: C₂₃H₁₆O₂

SMILES:

O=C(\C=C(/O)\c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H16O2/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)15-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h1-15,24H/b22-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5989 kcal/mol

Physical Properties
Molecular Weight: 324.379 g/mol	logS: -7.39335	SlogP: 5.7748	Reactive groups: 1

Topological Properties
Globularity: 0.00133792	Sterimol/B1: 2.20591	Sterimol/B2: 2.39521	Sterimol/B3: 3.24613
Sterimol/B4: 5.27319	Sterimol/L: 19.4175

Surface and Volume Properties
Accessible surface: 577.388	Positive charged surface: 278.735	Negative charged surface: 278.058	Volume: 320
Hydrophobic surface: 520.386	Hydrophilic surface: 57.002

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

MMs03205134
PUBCHEM-ZINC05117558