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MMsINC code: MMs01725573

Type: Neutral
Formula: C₁₅H₁₄ClN₃O₄S₃

SMILES:

Clc1cc2N=C(NS(=O)(=O)c2cc1S(=O)(=O)N)CSCc1ccccc1

InChI:

InChI=1/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.70033 kcal/mol

Physical Properties
Molecular Weight: 431.945 g/mol	logS: -5.80387	SlogP: 2.5091	Reactive groups: 0

Topological Properties
Globularity: 0.0492303	Sterimol/B1: 3.16677	Sterimol/B2: 3.61051	Sterimol/B3: 3.68313
Sterimol/B4: 7.50209	Sterimol/L: 17.4127

Surface and Volume Properties
Accessible surface: 630.59	Positive charged surface: 288.767	Negative charged surface: 341.823	Volume: 333.375
Hydrophobic surface: 376.787	Hydrophilic surface: 253.803

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs01725574
FDA-ZINC01530899