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MMsINC code: MMs03161490

Type: Tautomer
Formula: C₂₃H₁₈O₂

SMILES:

O=C(\C=C(\O)/C=C(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18O2/c24-21(17-23(25)20-14-8-3-9-15-20)16-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17,24H/b21-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.945 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -5.9209	SlogP: 5.26039	Reactive groups: 1

Topological Properties
Globularity: 0.0905002	Sterimol/B1: 3.73432	Sterimol/B2: 3.73754	Sterimol/B3: 5.73612
Sterimol/B4: 6.40688	Sterimol/L: 15.4367

Surface and Volume Properties
Accessible surface: 596.72	Positive charged surface: 318.408	Negative charged surface: 278.312	Volume: 331.5
Hydrophobic surface: 553.034	Hydrophilic surface: 43.686

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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Parent related molecule:

MMs03161489
PUBCHEM-ZINC04705801