MMsINC Database Search


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MMsINC code: MMs02601805

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(cccc2)C(=O)C(OC(C(=O)c2ccccc2)C)=C1c1ccccc1

InChI:

InChI=1/C24H18O4/c1-16(21(25)17-10-4-2-5-11-17)27-24-22(26)19-14-8-9-15-20(19)28-23(24)18-12-6-3-7-13-18/h2-16H,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.738 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.06136	SlogP: 4.9185	Reactive groups: 1

Topological Properties
Globularity: 0.115002	Sterimol/B1: 1.969	Sterimol/B2: 3.47656	Sterimol/B3: 4.87691
Sterimol/B4: 8.55193	Sterimol/L: 16.7068

Surface and Volume Properties
Accessible surface: 609.909	Positive charged surface: 339.992	Negative charged surface: 269.917	Volume: 355.125
Hydrophobic surface: 543.158	Hydrophilic surface: 66.751

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.