MMsINC Database Search


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MMsINC code: MMs03519711

Type: Neutral
Formula: C₈H₈Cl₂N₂O₂S

SMILES:

Clc1cc2NC(NS(=O)(=O)c2cc1Cl)C

InChI:

InChI=1/C8H8Cl2N2O2S/c1-4-11-7-2-5(9)6(10)3-8(7)15(13,14)12-4/h2-4,11-12H,1H3/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-9.12107 kcal/mol

Physical Properties
Molecular Weight: 267.136 g/mol	logS: -2.84468	SlogP: 2.0432	Reactive groups: 0

Topological Properties
Globularity: 0.147842	Sterimol/B1: 1.97398	Sterimol/B2: 3.35286	Sterimol/B3: 4.16149
Sterimol/B4: 5.20755	Sterimol/L: 11.2476

Surface and Volume Properties
Accessible surface: 402.143	Positive charged surface: 164.47	Negative charged surface: 237.673	Volume: 198.75
Hydrophobic surface: 268.273	Hydrophilic surface: 133.87

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.