MMsINC Database Search


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MMsINC code: MMs03226759

Type: Neutral
Formula: C₂₄H₁₆O₃

SMILES:

O1c2cc(OCc3c4c(ccc3)cccc4)ccc2-c2c(cccc2)C1=O

InChI:

InChI=1/C24H16O3/c25-24-22-11-4-3-10-20(22)21-13-12-18(14-23(21)27-24)26-15-17-8-5-7-16-6-1-2-9-19(16)17/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.833 kcal/mol

Physical Properties
Molecular Weight: 352.389 g/mol	logS: -8.38772	SlogP: 5.8848	Reactive groups: 0

Topological Properties
Globularity: 0.00351137	Sterimol/B1: 2.51301	Sterimol/B2: 2.5154	Sterimol/B3: 3.10507
Sterimol/B4: 6.94349	Sterimol/L: 19.0494

Surface and Volume Properties
Accessible surface: 603.724	Positive charged surface: 294.111	Negative charged surface: 288.349	Volume: 338.125
Hydrophobic surface: 539.748	Hydrophilic surface: 63.976

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.