MMsINC Database Search


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MMsINC code: MMs00174670

Type: Neutral
Formula: C₁₉H₁₈N₂O₃S₂

SMILES:

s1cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C19H18N2O3S2/c1-13-5-6-16(12-14(13)2)21-26(23,24)17-9-7-15(8-10-17)20-19(22)18-4-3-11-25-18/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)=72.2601 kcal/mol

Physical Properties
Molecular Weight: 386.496 g/mol	logS: -5.77122	SlogP: 4.41804	Reactive groups: 0

Topological Properties
Globularity: 0.0979109	Sterimol/B1: 2.08548	Sterimol/B2: 3.21089	Sterimol/B3: 4.99909
Sterimol/B4: 9.54078	Sterimol/L: 16.4077

Surface and Volume Properties
Accessible surface: 620.597	Positive charged surface: 308.425	Negative charged surface: 312.172	Volume: 344
Hydrophobic surface: 499.627	Hydrophilic surface: 120.97

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.