MMsINC Database Search


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MMsINC code: MMs02319312

Type: Neutral
Formula: C₂₃H₁₈O₂

SMILES:

O1c2c(cc(cc2)C)C(=C(c2ccccc2)C1=O)c1ccc(cc1)C

InChI:

InChI=1/C23H18O2/c1-15-8-11-18(12-9-15)21-19-14-16(2)10-13-20(19)25-23(24)22(21)17-6-4-3-5-7-17/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.949 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -7.27382	SlogP: 4.99883	Reactive groups: 0

Topological Properties
Globularity: 0.105383	Sterimol/B1: 2.20235	Sterimol/B2: 3.2666	Sterimol/B3: 4.06373
Sterimol/B4: 10.2439	Sterimol/L: 14.4508

Surface and Volume Properties
Accessible surface: 574.563	Positive charged surface: 330.928	Negative charged surface: 243.635	Volume: 331.75
Hydrophobic surface: 519.824	Hydrophilic surface: 54.739

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.