MMsINC Database Search


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MMsINC code: MMs02575481

Type: Neutral
Formula: C₂₆H₁₈O₃

SMILES:

O1c2c(cc(OCc3c4c(ccc3)cccc4)cc2)C(=O)C=C1c1ccccc1

InChI:

InChI=1/C26H18O3/c27-24-16-26(19-8-2-1-3-9-19)29-25-14-13-21(15-23(24)25)28-17-20-11-6-10-18-7-4-5-12-22(18)20/h1-16H,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.429 kcal/mol

Physical Properties
Molecular Weight: 378.427 g/mol	logS: -8.24465	SlogP: 6.3014	Reactive groups: 1

Topological Properties
Globularity: 0.00111655	Sterimol/B1: 2.37297	Sterimol/B2: 2.37715	Sterimol/B3: 3.98447
Sterimol/B4: 6.18153	Sterimol/L: 21.1681

Surface and Volume Properties
Accessible surface: 657.938	Positive charged surface: 331.12	Negative charged surface: 315.746	Volume: 368.875
Hydrophobic surface: 609.84	Hydrophilic surface: 48.098

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: 0

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Ions/Tautomers related molecules: no related molecules available.