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MMsINC code: MMs02931511

Type: Neutral
Formula: C₁₇H₁₉ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)C)cc1

InChI:

InChI=1/C17H19ClN2O3S/c1-20(24(22,23)16-9-7-15(18)8-10-16)13-17(21)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6561 kcal/mol

Physical Properties
Molecular Weight: 366.869 g/mol	logS: -4.03467	SlogP: 2.31937	Reactive groups: 0

Topological Properties
Globularity: 0.0412831	Sterimol/B1: 1.99844	Sterimol/B2: 3.31632	Sterimol/B3: 4.21754
Sterimol/B4: 7.09764	Sterimol/L: 20.2908

Surface and Volume Properties
Accessible surface: 623.463	Positive charged surface: 337.534	Negative charged surface: 285.929	Volume: 328.125
Hydrophobic surface: 528.334	Hydrophilic surface: 95.129

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.