MMsINC Database Search


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MMsINC code: MMs00478475

Type: Neutral
Formula: C₂₄H₁₈O₃

SMILES:

O1C(=C(C(O)=C(Cc2ccccc2)C1=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H18O3/c25-22-20(16-17-10-4-1-5-11-17)24(26)27-23(19-14-8-3-9-15-19)21(22)18-12-6-2-7-13-18/h1-15,25H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.876 kcal/mol

Physical Properties
Molecular Weight: 354.405 g/mol	logS: -6.60338	SlogP: 5.16647	Reactive groups: 0

Topological Properties
Globularity: 0.123875	Sterimol/B1: 2.34802	Sterimol/B2: 5.30447	Sterimol/B3: 5.33328
Sterimol/B4: 5.42674	Sterimol/L: 15.0809

Surface and Volume Properties
Accessible surface: 594.789	Positive charged surface: 341.539	Negative charged surface: 253.25	Volume: 347.875
Hydrophobic surface: 528.594	Hydrophilic surface: 66.195

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: 1

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Ions/Tautomers related molecules: no related molecules available.