MMsINC Database Search


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MMsINC code: MMs01787297

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(C(=O)C=C1c1ccccc1)c(O)cc(OCc1ccc(cc1)C=C)c2

InChI:

InChI=1/C24H18O4/c1-2-16-8-10-17(11-9-16)15-27-19-12-20(25)24-21(26)14-22(28-23(24)13-19)18-6-4-3-5-7-18/h2-14,25H,1,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.756 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.10151	SlogP: 5.4968	Reactive groups: 1

Topological Properties
Globularity: 0.0255058	Sterimol/B1: 2.73867	Sterimol/B2: 3.62557	Sterimol/B3: 4.63504
Sterimol/B4: 7.86636	Sterimol/L: 21.0398

Surface and Volume Properties
Accessible surface: 649.416	Positive charged surface: 350.209	Negative charged surface: 299.207	Volume: 356.75
Hydrophobic surface: 522.217	Hydrophilic surface: 127.199

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.