MMsINC Database Search


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MMsINC code: MMs02723151

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₃S

SMILES:

Clc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C16H17ClN2O3S/c1-12-6-8-14(9-7-12)23(21,22)19-11-16(20)18-10-13-4-2-3-5-15(13)17/h2-9,19H,10-11H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.0008 kcal/mol

Physical Properties
Molecular Weight: 352.842 g/mol	logS: -4.37154	SlogP: 2.50952	Reactive groups: 0

Topological Properties
Globularity: 0.0584729	Sterimol/B1: 2.32833	Sterimol/B2: 3.97186	Sterimol/B3: 4.00627
Sterimol/B4: 7.93423	Sterimol/L: 16.781

Surface and Volume Properties
Accessible surface: 595.541	Positive charged surface: 298.328	Negative charged surface: 297.213	Volume: 309.875
Hydrophobic surface: 461.411	Hydrophilic surface: 134.13

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.