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MMsINC code: MMs02882363

Type: Neutral
Formula: C₁₅H₁₆ClFN₂O₂S

SMILES:

Clc1cccc(F)c1CNCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H16ClFN2O2S/c16-14-2-1-3-15(17)13(14)10-19-9-8-11-4-6-12(7-5-11)22(18,20)21/h1-7,19H,8-10H2,(H2,18,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.9094 kcal/mol

Physical Properties
Molecular Weight: 342.822 g/mol	logS: -4.21063	SlogP: 2.72517	Reactive groups: 0

Topological Properties
Globularity: 0.0306435	Sterimol/B1: 2.6956	Sterimol/B2: 3.66484	Sterimol/B3: 3.84438
Sterimol/B4: 4.76556	Sterimol/L: 18.7553

Surface and Volume Properties
Accessible surface: 574.21	Positive charged surface: 284.831	Negative charged surface: 289.379	Volume: 293.875
Hydrophobic surface: 424.565	Hydrophilic surface: 149.645

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

MMs02882364
PUBCHEM-ZINC02181814