MMsINC Database Search


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MMsINC code: MMs02575656

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

O1c2c(cccc2)C(=O)C(OCc2ccc(cc2)C)=C1c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.212 kcal/mol

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

Topological Properties
Globularity: 0.0395508	Sterimol/B1: 3.14132	Sterimol/B2: 3.26608	Sterimol/B3: 3.28548
Sterimol/B4: 9.38315	Sterimol/L: 17.1662

Surface and Volume Properties
Accessible surface: 625.314	Positive charged surface: 367.03	Negative charged surface: 258.284	Volume: 357.625
Hydrophobic surface: 585.671	Hydrophilic surface: 39.643

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.