MMsINC Database Search


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MMsINC code: MMs02156468

Type: Neutral
Formula: C₁₈H₁₉F₃N₂O₃S

SMILES:

S(=O)(=O)(N1CCN(CC1)c1ccccc1OC)c1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C18H19F3N2O3S/c1-26-17-5-3-2-4-16(17)22-10-12-23(13-11-22)27(24,25)15-8-6-14(7-9-15)18(19,20)21/h2-9H,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.8 kcal/mol

Physical Properties
Molecular Weight: 400.421 g/mol	logS: -4.27596	SlogP: 3.5364	Reactive groups: 0

Topological Properties
Globularity: 0.101827	Sterimol/B1: 3.57984	Sterimol/B2: 3.68352	Sterimol/B3: 4.38296
Sterimol/B4: 6.16639	Sterimol/L: 16.1235

Surface and Volume Properties
Accessible surface: 602.468	Positive charged surface: 337.723	Negative charged surface: 264.746	Volume: 337.375
Hydrophobic surface: 426.426	Hydrophilic surface: 176.042

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: no related molecules available.