MMsINC Database Search


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MMsINC code: MMs02566279

Type: Neutral
Formula: C₂₆H₂₄O₃

SMILES:

O1c2c(cc(cc2C)C)C(=O)C(OCc2ccccc2C)=C1c1ccc(cc1)C

InChI:

InChI=1/C26H24O3/c1-16-9-11-20(12-10-16)25-26(28-15-21-8-6-5-7-18(21)3)23(27)22-14-17(2)13-19(4)24(22)29-25/h5-14H,15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.135 kcal/mol

Physical Properties
Molecular Weight: 384.475 g/mol	logS: -7.98503	SlogP: 6.34738	Reactive groups: 1

Topological Properties
Globularity: 0.0966813	Sterimol/B1: 2.41403	Sterimol/B2: 4.23818	Sterimol/B3: 4.37998
Sterimol/B4: 9.47082	Sterimol/L: 16.7681

Surface and Volume Properties
Accessible surface: 677.419	Positive charged surface: 407.601	Negative charged surface: 269.818	Volume: 391.625
Hydrophobic surface: 642.642	Hydrophilic surface: 34.777

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.