MMsINC Database Search


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MMsINC code: MMs02575480

Type: Neutral
Formula: C₂₃H₁₈O₃

SMILES:

O1c2c(cc(OCc3cc(ccc3)C)cc2)C(=O)C=C1c1ccccc1

InChI:

InChI=1/C23H18O3/c1-16-6-5-7-17(12-16)15-25-19-10-11-22-20(13-19)21(24)14-23(26-22)18-8-3-2-4-9-18/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7369 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -6.84069	SlogP: 5.45662	Reactive groups: 1

Topological Properties
Globularity: 0.0360064	Sterimol/B1: 2.24338	Sterimol/B2: 4.35057	Sterimol/B3: 4.59185
Sterimol/B4: 6.07171	Sterimol/L: 20.4178

Surface and Volume Properties
Accessible surface: 640.695	Positive charged surface: 344.709	Negative charged surface: 295.986	Volume: 336.375
Hydrophobic surface: 586.001	Hydrophilic surface: 54.694

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: 1

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Ions/Tautomers related molecules: no related molecules available.