MMsINC Database Search


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MMsINC code: MMs03541438

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

OC(=O)c1ccccc1Cc1c2c3c(-c4c(-c3ccc2)cccc4)cc1

InChI:

InChI=1/C24H16O2/c25-24(26)18-7-2-1-6-15(18)14-16-12-13-22-20-9-4-3-8-19(20)21-11-5-10-17(16)23(21)22/h1-13H,14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.244 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -8.5558	SlogP: 5.77617	Reactive groups: 0

Topological Properties
Globularity: 0.112736	Sterimol/B1: 2.45125	Sterimol/B2: 3.70444	Sterimol/B3: 6.16532
Sterimol/B4: 6.41151	Sterimol/L: 16.6499

Surface and Volume Properties
Accessible surface: 567.02	Positive charged surface: 286.99	Negative charged surface: 250.757	Volume: 329
Hydrophobic surface: 483.195	Hydrophilic surface: 83.825

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03541439
PUBCHEM-ZINC06095363