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MMsINC code: MMs02922536

Type: Neutral
Formula: C₁₅H₁₆ClFN₂O₂S₂

SMILES:

Clc1cc(F)ccc1CN1CCN(S(=O)(=O)c2sccc2)CC1

InChI:

InChI=1/C15H16ClFN2O2S2/c16-14-10-13(17)4-3-12(14)11-18-5-7-19(8-6-18)23(20,21)15-2-1-9-22-15/h1-4,9-10H,5-8,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4774 kcal/mol

Physical Properties
Molecular Weight: 374.888 g/mol	logS: -4.10735	SlogP: 3.3135	Reactive groups: 0

Topological Properties
Globularity: 0.13524	Sterimol/B1: 2.55262	Sterimol/B2: 3.47123	Sterimol/B3: 4.73682
Sterimol/B4: 6.75252	Sterimol/L: 14.964

Surface and Volume Properties
Accessible surface: 550.668	Positive charged surface: 268.115	Negative charged surface: 282.553	Volume: 312.125
Hydrophobic surface: 484.874	Hydrophilic surface: 65.794

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02922537
PUBCHEM-ZINC02776629