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MMsINC code: MMs02927316

Type: Neutral
Formula: C₁₉H₂₂ClFN₂O₂S

SMILES:

Clc1cccc(F)c1CN1CCN(S(=O)(=O)c2cc(ccc2C)C)CC1

InChI:

InChI=1/C19H22ClFN2O2S/c1-14-6-7-15(2)19(12-14)26(24,25)23-10-8-22(9-11-23)13-16-17(20)4-3-5-18(16)21/h3-7,12H,8-11,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3716 kcal/mol

Physical Properties
Molecular Weight: 396.914 g/mol	logS: -4.77673	SlogP: 3.86884	Reactive groups: 0

Topological Properties
Globularity: 0.0921218	Sterimol/B1: 3.44612	Sterimol/B2: 3.59547	Sterimol/B3: 5.3727
Sterimol/B4: 5.67214	Sterimol/L: 17.1497

Surface and Volume Properties
Accessible surface: 601.813	Positive charged surface: 332.134	Negative charged surface: 269.679	Volume: 351.25
Hydrophobic surface: 543.263	Hydrophilic surface: 58.55

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

MMs02927317
PUBCHEM-ZINC02790227