MMsINC Database Search


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MMsINC code: MMs00454194

Type: Neutral
Formula: C₂₃H₁₆O₄

SMILES:

O1c2c(cccc2)C(OC(=O)c2ccccc2)=C(Cc2ccccc2)C1=O

InChI:

InChI=1/C23H16O4/c24-22(17-11-5-2-6-12-17)27-21-18-13-7-8-14-20(18)26-23(25)19(21)15-16-9-3-1-4-10-16/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.081 kcal/mol

Physical Properties
Molecular Weight: 356.377 g/mol	logS: -6.76005	SlogP: 4.41637	Reactive groups: 0

Topological Properties
Globularity: 0.137961	Sterimol/B1: 2.12208	Sterimol/B2: 2.24462	Sterimol/B3: 5.23208
Sterimol/B4: 10.5404	Sterimol/L: 14.7988

Surface and Volume Properties
Accessible surface: 590.662	Positive charged surface: 306.175	Negative charged surface: 284.487	Volume: 338.875
Hydrophobic surface: 523.853	Hydrophilic surface: 66.809

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.