MMsINC Database Search


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MMsINC code: MMs02058405

Type: Neutral
Formula: C₁₉H₁₅ClFNO₄S

SMILES:

Clc1cc(ccc1)C(=O)NCC(S(=O)(=O)c1ccc(F)cc1)c1occc1

InChI:

InChI=1/C19H15ClFNO4S/c20-14-4-1-3-13(11-14)19(23)22-12-18(17-5-2-10-26-17)27(24,25)16-8-6-15(21)7-9-16/h1-11,18H,12H2,(H,22,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5769 kcal/mol

Physical Properties
Molecular Weight: 407.849 g/mol	logS: -6.01478	SlogP: 4.1126	Reactive groups: 0

Topological Properties
Globularity: 0.0510062	Sterimol/B1: 3.77474	Sterimol/B2: 4.0529	Sterimol/B3: 5.07037
Sterimol/B4: 5.65562	Sterimol/L: 16.4762

Surface and Volume Properties
Accessible surface: 614.558	Positive charged surface: 263.52	Negative charged surface: 351.038	Volume: 341.25
Hydrophobic surface: 531.528	Hydrophilic surface: 83.03

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.