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MMsINC code: MMs01667379

Type: Neutral
Formula: C₁₄H₁₉ClN₂O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C(=O)NCC1CCCCC1

InChI:

InChI=1/C14H19ClN2O3S/c15-12-7-6-11(8-13(12)21(16,19)20)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.6071 kcal/mol

Physical Properties
Molecular Weight: 330.836 g/mol	logS: -4.66628	SlogP: 2.2975	Reactive groups: 0

Topological Properties
Globularity: 0.035444	Sterimol/B1: 2.92771	Sterimol/B2: 3.30148	Sterimol/B3: 3.6019
Sterimol/B4: 5.10093	Sterimol/L: 16.9152

Surface and Volume Properties
Accessible surface: 545.109	Positive charged surface: 315.344	Negative charged surface: 229.766	Volume: 286.5
Hydrophobic surface: 384.666	Hydrophilic surface: 160.443

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

MMs01667380
ENAMINE-ZINC06510841