MMsINC Database Search


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MMsINC code: MMs02950970

Type: Neutral
Formula: C₁₇H₂₀ClNO₂S

SMILES:

Clc1ccc(cc1)CS(=O)(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C17H20ClNO2S/c1-14(2)19(12-15-6-4-3-5-7-15)22(20,21)13-16-8-10-17(18)11-9-16/h3-11,14H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4963 kcal/mol

Physical Properties
Molecular Weight: 337.871 g/mol	logS: -4.39909	SlogP: 4.6132	Reactive groups: 0

Topological Properties
Globularity: 0.153772	Sterimol/B1: 2.15849	Sterimol/B2: 3.26022	Sterimol/B3: 4.21859
Sterimol/B4: 8.81448	Sterimol/L: 14.3531

Surface and Volume Properties
Accessible surface: 539.55	Positive charged surface: 270.864	Negative charged surface: 268.686	Volume: 316.375
Hydrophobic surface: 457.55	Hydrophilic surface: 82

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.