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MMsINC code: MMs00978527

Type: Neutral
Formula: C₁₇H₁₉ClN₂O₂S

SMILES:

Clc1cc2N(C)C(=O)C=C(SCC(=O)N3CCCCC3)c2cc1

InChI:

InChI=1/C17H19ClN2O2S/c1-19-14-9-12(18)5-6-13(14)15(10-16(19)21)23-11-17(22)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6389 kcal/mol

Physical Properties
Molecular Weight: 350.87 g/mol	logS: -4.72165	SlogP: 3.403	Reactive groups: 0

Topological Properties
Globularity: 0.021913	Sterimol/B1: 2.4052	Sterimol/B2: 2.98191	Sterimol/B3: 3.03696
Sterimol/B4: 7.58014	Sterimol/L: 17.5778

Surface and Volume Properties
Accessible surface: 575.194	Positive charged surface: 348.467	Negative charged surface: 226.726	Volume: 318.75
Hydrophobic surface: 473.353	Hydrophilic surface: 101.841

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.