MMsINC Database Search


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MMsINC code: MMs02521523

Type: Neutral
Formula: C₁₀H₁₆ClN₃O₄S₂

SMILES:

Clc1cc(N)c(S(=O)(=O)N(C)C)cc1S(=O)(=O)N(C)C

InChI:

InChI=1/C10H16ClN3O4S2/c1-13(2)19(15,16)9-6-10(8(12)5-7(9)11)20(17,18)14(3)4/h5-6H,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7711 kcal/mol

Physical Properties
Molecular Weight: 341.84 g/mol	logS: -1.66717	SlogP: 0.4228	Reactive groups: 0

Topological Properties
Globularity: 0.115418	Sterimol/B1: 2.49147	Sterimol/B2: 4.40783	Sterimol/B3: 4.59818
Sterimol/B4: 4.68374	Sterimol/L: 13.5622

Surface and Volume Properties
Accessible surface: 493.24	Positive charged surface: 319.477	Negative charged surface: 173.763	Volume: 267.875
Hydrophobic surface: 350.26	Hydrophilic surface: 142.98

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.