MMsINC Database Search


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MMsINC code: MMs02725756

Type: Neutral
Formula: C₁₉H₁₈N₂O₃S₂

SMILES:

s1cccc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1

InChI:

InChI=1/C19H18N2O3S2/c22-19(18-7-4-14-25-18)21-16-8-10-17(11-9-16)26(23,24)20-13-12-15-5-2-1-3-6-15/h1-11,14,20H,12-13H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3941 kcal/mol

Physical Properties
Molecular Weight: 386.496 g/mol	logS: -4.82889	SlogP: 3.52137	Reactive groups: 0

Topological Properties
Globularity: 0.0517947	Sterimol/B1: 2.52667	Sterimol/B2: 3.66824	Sterimol/B3: 3.73995
Sterimol/B4: 9.95133	Sterimol/L: 17.8722

Surface and Volume Properties
Accessible surface: 648.346	Positive charged surface: 317.565	Negative charged surface: 330.782	Volume: 346.125
Hydrophobic surface: 524.726	Hydrophilic surface: 123.62

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.