MMsINC Database Search


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MMsINC code: MMs00903819

Type: Neutral
Formula: C₁₉H₂₂F₂N₂O₃S

SMILES:

S(=O)(=O)(N(CCCC)CC)c1cc(C(=O)Nc2cc(F)ccc2)c(F)cc1

InChI:

InChI=1/C19H22F2N2O3S/c1-3-5-11-23(4-2)27(25,26)16-9-10-18(21)17(13-16)19(24)22-15-8-6-7-14(20)12-15/h6-10,12-13H,3-5,11H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7224 kcal/mol

Physical Properties
Molecular Weight: 396.458 g/mol	logS: -5.2298	SlogP: 4.0278	Reactive groups: 0

Topological Properties
Globularity: 0.117032	Sterimol/B1: 2.42984	Sterimol/B2: 2.46608	Sterimol/B3: 6.04315
Sterimol/B4: 9.04157	Sterimol/L: 17.0832

Surface and Volume Properties
Accessible surface: 622.349	Positive charged surface: 341.107	Negative charged surface: 281.242	Volume: 353
Hydrophobic surface: 497.127	Hydrophilic surface: 125.222

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.