MMsINC Database Search


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MMsINC code: MMs01646761

Type: Neutral
Formula: C₁₉H₂₂FNO₅S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccc(cc1)C(OCCOc1ccccc1F)=O

InChI:

InChI=1/C19H22FNO5S/c1-3-21(4-2)27(23,24)16-11-9-15(10-12-16)19(22)26-14-13-25-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1408 kcal/mol

Physical Properties
Molecular Weight: 395.451 g/mol	logS: -4.47429	SlogP: 3.092	Reactive groups: 0

Topological Properties
Globularity: 0.0406056	Sterimol/B1: 2.76141	Sterimol/B2: 2.77203	Sterimol/B3: 4.92563
Sterimol/B4: 7.67987	Sterimol/L: 18.992

Surface and Volume Properties
Accessible surface: 660.953	Positive charged surface: 387.715	Negative charged surface: 273.238	Volume: 359.375
Hydrophobic surface: 526.823	Hydrophilic surface: 134.13

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.