MMsINC Database Search


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MMsINC code: MMs02715141

Type: Neutral
Formula: C₁₉H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(cc1)C

InChI:

InChI=1/C19H18N2O4S2/c1-15-7-13-19(14-8-15)27(24,25)21-17-11-9-16(10-12-17)20-26(22,23)18-5-3-2-4-6-18/h2-14,20-21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8608 kcal/mol

Physical Properties
Molecular Weight: 402.495 g/mol	logS: -5.18248	SlogP: 3.59662	Reactive groups: 0

Topological Properties
Globularity: 0.0799153	Sterimol/B1: 3.06859	Sterimol/B2: 3.45377	Sterimol/B3: 4.47559
Sterimol/B4: 7.60816	Sterimol/L: 16.8594

Surface and Volume Properties
Accessible surface: 621.407	Positive charged surface: 318.813	Negative charged surface: 302.594	Volume: 348.375
Hydrophobic surface: 459.176	Hydrophilic surface: 162.231

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.