MMsINC Database Search


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MMsINC code: MMs02058329

Type: Neutral
Formula: C₁₉H₁₅ClFNO₄S

SMILES:

Clc1ccc(S(=O)(=O)C(CNC(=O)c2ccc(F)cc2)c2occc2)cc1

InChI:

InChI=1/C19H15ClFNO4S/c20-14-5-9-16(10-6-14)27(24,25)18(17-2-1-11-26-17)12-22-19(23)13-3-7-15(21)8-4-13/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)=66.5297 kcal/mol

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

Topological Properties
Globularity: 0.0502907	Sterimol/B1: 2.48073	Sterimol/B2: 2.91659	Sterimol/B3: 4.90504
Sterimol/B4: 8.08518	Sterimol/L: 17.3895

Surface and Volume Properties
Accessible surface: 615.455	Positive charged surface: 268.318	Negative charged surface: 347.137	Volume: 343.125
Hydrophobic surface: 532.262	Hydrophilic surface: 83.193

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.