MMsINC Database Search


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MMsINC code: MMs02555914

Type: Neutral
Formula: C₂₃H₁₉NO₃S₂

SMILES:

S(c1cc(NS(=O)(=O)c2ccccc2)c2c(cccc2)c1O)c1ccc(cc1)C

InChI:

InChI=1/C23H19NO3S2/c1-16-11-13-17(14-12-16)28-22-15-21(19-9-5-6-10-20(19)23(22)25)24-29(26,27)18-7-3-2-4-8-18/h2-15,24-25H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9768 kcal/mol

Physical Properties
Molecular Weight: 421.541 g/mol	logS: -7.88183	SlogP: 5.80582	Reactive groups: 0

Topological Properties
Globularity: 0.240828	Sterimol/B1: 2.78944	Sterimol/B2: 5.77491	Sterimol/B3: 5.97395
Sterimol/B4: 6.25407	Sterimol/L: 14.2091

Surface and Volume Properties
Accessible surface: 614.623	Positive charged surface: 304.265	Negative charged surface: 303.481	Volume: 383.875
Hydrophobic surface: 473.604	Hydrophilic surface: 141.019

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.