MMsINC Database Search


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MMsINC code: MMs02575655

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

O1c2c(cccc2)C(=O)C(OCc2ccccc2C)=C1c1ccc(cc1)C

InChI:

InChI=1/C24H20O3/c1-16-11-13-18(14-12-16)23-24(26-15-19-8-4-3-7-17(19)2)22(25)20-9-5-6-10-21(20)27-23/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.274 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -7.35064	SlogP: 5.73054	Reactive groups: 1

Topological Properties
Globularity: 0.130746	Sterimol/B1: 2.41429	Sterimol/B2: 4.26685	Sterimol/B3: 4.4191
Sterimol/B4: 9.67543	Sterimol/L: 15.9583

Surface and Volume Properties
Accessible surface: 632.1	Positive charged surface: 362.898	Negative charged surface: 269.202	Volume: 354
Hydrophobic surface: 596.744	Hydrophilic surface: 35.356

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.