MMsINC Database Search


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MMsINC code: MMs02669083

Type: Neutral
Formula: C₁₅H₂₂FNO₃S

SMILES:

S(=O)(=O)(N(CC)C1CCCCC1)c1cc(F)ccc1OC

InChI:

InChI=1/C15H22FNO3S/c1-3-17(13-7-5-4-6-8-13)21(18,19)15-11-12(16)9-10-14(15)20-2/h9-11,13H,3-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2473 kcal/mol

Physical Properties
Molecular Weight: 315.409 g/mol	logS: -3.44215	SlogP: 3.1776	Reactive groups: 0

Topological Properties
Globularity: 0.206223	Sterimol/B1: 2.45342	Sterimol/B2: 3.96929	Sterimol/B3: 4.41712
Sterimol/B4: 8.22213	Sterimol/L: 12.7113

Surface and Volume Properties
Accessible surface: 508.783	Positive charged surface: 329.686	Negative charged surface: 179.097	Volume: 289.625
Hydrophobic surface: 438.086	Hydrophilic surface: 70.697

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.