MMsINC Database Search


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MMsINC code: MMs03224826

Type: Neutral
Formula: C₂₃H₁₈O₃S

SMILES:

S(=O)(Cc1c2c(oc1C(=O)c1ccccc1)cccc2)c1ccccc1C

InChI:

InChI=1/C23H18O3S/c1-16-9-5-8-14-21(16)27(25)15-19-18-12-6-7-13-20(18)26-23(19)22(24)17-10-3-2-4-11-17/h2-14H,15H2,1H3/t27-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.325 kcal/mol

Physical Properties
Molecular Weight: 374.46 g/mol	logS: -7.27448	SlogP: 5.54642	Reactive groups: 0

Topological Properties
Globularity: 0.0210006	Sterimol/B1: 2.94414	Sterimol/B2: 3.06017	Sterimol/B3: 3.92795
Sterimol/B4: 9.86772	Sterimol/L: 16.0215

Surface and Volume Properties
Accessible surface: 609.187	Positive charged surface: 339.667	Negative charged surface: 265.322	Volume: 355
Hydrophobic surface: 558.94	Hydrophilic surface: 50.247

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.