MMsINC Database Search


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MMsINC code: MMs01322189

Type: Neutral
Formula: C₁₉H₂₂F₂N₂O₂S

SMILES:

S(=O)(=O)(N(C(F)F)c1ccccc1N1CCCCC1)c1ccc(cc1)C

InChI:

InChI=1/C19H22F2N2O2S/c1-15-9-11-16(12-10-15)26(24,25)23(19(20)21)18-8-4-3-7-17(18)22-13-5-2-6-14-22/h3-4,7-12,19H,2,5-6,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.167 kcal/mol

Physical Properties
Molecular Weight: 380.459 g/mol	logS: -4.36165	SlogP: 4.82312	Reactive groups: 0

Topological Properties
Globularity: 0.125607	Sterimol/B1: 3.69904	Sterimol/B2: 4.31485	Sterimol/B3: 5.13477
Sterimol/B4: 6.09951	Sterimol/L: 15.7031

Surface and Volume Properties
Accessible surface: 576.899	Positive charged surface: 341.017	Negative charged surface: 235.882	Volume: 344
Hydrophobic surface: 479.219	Hydrophilic surface: 97.68

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.