MMsINC Database Search


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MMsINC code: MMs01789470

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(C(=O)C=C1c1ccccc1)c(O)cc(OC\C=C\c1ccccc1)c2

InChI:

InChI=1/C24H18O4/c25-20-14-19(27-13-7-10-17-8-3-1-4-9-17)15-23-24(20)21(26)16-22(28-23)18-11-5-2-6-12-18/h1-12,14-16,25H,13H2/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.19 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -6.51064	SlogP: 5.1006	Reactive groups: 1

Topological Properties
Globularity: 0.0120134	Sterimol/B1: 2.95852	Sterimol/B2: 2.98065	Sterimol/B3: 3.80366
Sterimol/B4: 7.4833	Sterimol/L: 21.3944

Surface and Volume Properties
Accessible surface: 654.221	Positive charged surface: 360.665	Negative charged surface: 293.557	Volume: 355
Hydrophobic surface: 549.666	Hydrophilic surface: 104.555

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.