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MMsINC code: MMs01501462

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₄S

SMILES:

Clc1cc(C)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1

InChI:

InChI=1/C19H20ClFN2O4S/c1-14-12-15(20)2-7-18(14)27-13-19(24)22-8-10-23(11-9-22)28(25,26)17-5-3-16(21)4-6-17/h2-7,12H,8-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.718 kcal/mol

Physical Properties
Molecular Weight: 426.896 g/mol	logS: -4.54832	SlogP: 2.69942	Reactive groups: 0

Topological Properties
Globularity: 0.0693485	Sterimol/B1: 2.72971	Sterimol/B2: 3.19669	Sterimol/B3: 5.74151
Sterimol/B4: 6.63586	Sterimol/L: 18.9682

Surface and Volume Properties
Accessible surface: 658.979	Positive charged surface: 346.436	Negative charged surface: 312.543	Volume: 366.375
Hydrophobic surface: 571.674	Hydrophilic surface: 87.305

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.