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MMsINC code: MMs01065485

Type: Neutral
Formula: C₁₆H₁₄ClN₃O₄S

SMILES:

Clc1ccc(cc1)CNS(=O)(=O)c1cc2NC(=O)C(=O)Nc2cc1C

InChI:

InChI=1/C16H14ClN3O4S/c1-9-6-12-13(20-16(22)15(21)19-12)7-14(9)25(23,24)18-8-10-2-4-11(17)5-3-10/h2-7,18H,8H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.233 kcal/mol

Physical Properties
Molecular Weight: 379.824 g/mol	logS: -4.43854	SlogP: 2.28392	Reactive groups: 0

Topological Properties
Globularity: 0.125622	Sterimol/B1: 2.44282	Sterimol/B2: 3.79801	Sterimol/B3: 5.17592
Sterimol/B4: 6.38762	Sterimol/L: 17.643

Surface and Volume Properties
Accessible surface: 575.629	Positive charged surface: 260.175	Negative charged surface: 315.454	Volume: 308.125
Hydrophobic surface: 349.071	Hydrophilic surface: 226.558

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.