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MMsINC code: MMs02193444

Type: Neutral
Formula: C₁₉H₁₈ClN₃O₄S

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C19H18ClN3O4S/c1-12-17(18(23-27-12)15-4-2-3-5-16(15)20)19(24)22-11-10-13-6-8-14(9-7-13)28(21,25)26/h2-9H,10-11H2,1H3,(H,22,24)(H2,21,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.4812 kcal/mol

Physical Properties
Molecular Weight: 419.889 g/mol	logS: -5.6762	SlogP: 2.92329	Reactive groups: 0

Topological Properties
Globularity: 0.0519738	Sterimol/B1: 2.18723	Sterimol/B2: 3.42295	Sterimol/B3: 4.64925
Sterimol/B4: 10.3644	Sterimol/L: 17.6512

Surface and Volume Properties
Accessible surface: 673.68	Positive charged surface: 325.044	Negative charged surface: 348.636	Volume: 361.125
Hydrophobic surface: 489.592	Hydrophilic surface: 184.088

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02193445
NANOSIN-ZINC01064714