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MMsINC code: MMs02377466

Type: Neutral
Formula: C₁₄H₁₄ClN₃O₄S₂

SMILES:

Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)Cc1ccccc1

InChI:

InChI=1/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.24883 kcal/mol

Physical Properties
Molecular Weight: 387.868 g/mol	logS: -3.83916	SlogP: 1.25997	Reactive groups: 0

Topological Properties
Globularity: 0.072273	Sterimol/B1: 2.75306	Sterimol/B2: 3.25893	Sterimol/B3: 3.56737
Sterimol/B4: 7.73664	Sterimol/L: 15.4089

Surface and Volume Properties
Accessible surface: 541.826	Positive charged surface: 251.406	Negative charged surface: 290.42	Volume: 301.25
Hydrophobic surface: 306.801	Hydrophilic surface: 235.025

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02377467
NCID-ZINC02015922