MMsINC Database Search


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MMsINC code: MMs02443428

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

O1C(c2c(c3c(cc2)cccc3)C1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H16O2/c25-23-22-20-14-8-7-9-17(20)15-16-21(22)24(26-23,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.507 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -7.30269	SlogP: 5.6136	Reactive groups: 0

Topological Properties
Globularity: 0.256911	Sterimol/B1: 2.36814	Sterimol/B2: 3.83008	Sterimol/B3: 5.53635
Sterimol/B4: 9.37195	Sterimol/L: 13.4867

Surface and Volume Properties
Accessible surface: 559.576	Positive charged surface: 276.69	Negative charged surface: 273.602	Volume: 327.875
Hydrophobic surface: 513.072	Hydrophilic surface: 46.504

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.