MMsINC Database Search


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MMsINC code: MMs01626198

Type: Neutral
Formula: C₁₆H₁₈FNO₂S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C(CC)C)c1ccccc1F

InChI:

InChI=1/C16H18FNO2S/c1-3-12(2)13-8-10-14(11-9-13)18-21(19,20)16-7-5-4-6-15(16)17/h4-12,18H,3H2,1-2H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.6751 kcal/mol

Physical Properties
Molecular Weight: 307.389 g/mol	logS: -5.36128	SlogP: 4.14	Reactive groups: 0

Topological Properties
Globularity: 0.12672	Sterimol/B1: 3.92966	Sterimol/B2: 4.1377	Sterimol/B3: 4.57391
Sterimol/B4: 4.71983	Sterimol/L: 14.3115

Surface and Volume Properties
Accessible surface: 525.104	Positive charged surface: 292.884	Negative charged surface: 232.22	Volume: 285.625
Hydrophobic surface: 406.484	Hydrophilic surface: 118.62

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.