MMsINC Database Search


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MMsINC code: MMs01874371

Type: Neutral
Formula: C₂₄H₁₈O₃

SMILES:

O1c2c(cccc2)C(O)(c2c1cccc2)c1c2c(cc(OC)cc2)ccc1

InChI:

InChI=1/C24H18O3/c1-26-17-13-14-18-16(15-17)7-6-10-19(18)24(25)20-8-2-4-11-22(20)27-23-12-5-3-9-21(23)24/h2-15,25H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.951 kcal/mol

Physical Properties
Molecular Weight: 354.405 g/mol	logS: -7.16891	SlogP: 5.5498	Reactive groups: 0

Topological Properties
Globularity: 0.172492	Sterimol/B1: 2.85063	Sterimol/B2: 4.67019	Sterimol/B3: 5.37696
Sterimol/B4: 6.45409	Sterimol/L: 15.8531

Surface and Volume Properties
Accessible surface: 576.102	Positive charged surface: 346.007	Negative charged surface: 221.483	Volume: 341.25
Hydrophobic surface: 540.777	Hydrophilic surface: 35.325

Pharmacophoric Properties
Hydrogen bond donors: 1	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.