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MMsINC code: MMs02716127

Type: Neutral
Formula: C₁₇H₁₈ClFN₂O₂S

SMILES:

Clc1cc(S(=O)(=O)N2CCN(CC2)Cc2ccccc2)ccc1F

InChI:

InChI=1/C17H18ClFN2O2S/c18-16-12-15(6-7-17(16)19)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0415 kcal/mol

Physical Properties
Molecular Weight: 368.86 g/mol	logS: -4.14234	SlogP: 3.252	Reactive groups: 0

Topological Properties
Globularity: 0.137829	Sterimol/B1: 3.68708	Sterimol/B2: 4.4741	Sterimol/B3: 5.15129
Sterimol/B4: 5.68995	Sterimol/L: 15.6113

Surface and Volume Properties
Accessible surface: 572.983	Positive charged surface: 299.71	Negative charged surface: 273.273	Volume: 321.625
Hydrophobic surface: 509.172	Hydrophilic surface: 63.811

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

MMs02716128
PUBCHEM-ZINC00630152