MMsINC Database Search


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MMsINC code: MMs00445215

Type: Neutral
Formula: C₁₉H₁₈N₂O₃S₂

SMILES:

s1cc(S(=O)(=O)Nc2ccc(cc2)C)cc1C(=O)Nc1ccccc1C

InChI:

InChI=1/C19H18N2O3S2/c1-13-7-9-15(10-8-13)21-26(23,24)16-11-18(25-12-16)19(22)20-17-6-4-3-5-14(17)2/h3-12,21H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3437 kcal/mol

Physical Properties
Molecular Weight: 386.496 g/mol	logS: -5.45777	SlogP: 4.41804	Reactive groups: 0

Topological Properties
Globularity: 0.0722319	Sterimol/B1: 1.969	Sterimol/B2: 3.42121	Sterimol/B3: 4.65977
Sterimol/B4: 9.63245	Sterimol/L: 14.852

Surface and Volume Properties
Accessible surface: 630.15	Positive charged surface: 314.668	Negative charged surface: 315.481	Volume: 345.25
Hydrophobic surface: 516.938	Hydrophilic surface: 113.212

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.