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MMsINC code: MMs03340982

Type: Neutral
Formula: C₁₄H₁₄ClN₃O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C(=O)NN(C)c1ccccc1

InChI:

InChI=1/C14H14ClN3O3S/c1-18(11-5-3-2-4-6-11)17-14(19)10-7-8-12(15)13(9-10)22(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2557 kcal/mol

Physical Properties
Molecular Weight: 339.803 g/mol	logS: -4.08864	SlogP: 1.7686	Reactive groups: 0

Topological Properties
Globularity: 0.0982105	Sterimol/B1: 2.12609	Sterimol/B2: 4.29542	Sterimol/B3: 4.59262
Sterimol/B4: 7.25981	Sterimol/L: 15.8401

Surface and Volume Properties
Accessible surface: 541.146	Positive charged surface: 271.114	Negative charged surface: 270.032	Volume: 284.875
Hydrophobic surface: 384.804	Hydrophilic surface: 156.342

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

MMs03340983
PUBCHEM-ZINC05668591