MMsINC Database Search


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MMsINC code: MMs02914797

Type: Neutral
Formula: C₁₄H₂₂FNO₂S

SMILES:

S(=O)(=O)(N(CCCC)CCCC)c1ccc(F)cc1

InChI:

InChI=1/C14H22FNO2S/c1-3-5-11-16(12-6-4-2)19(17,18)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.9473 kcal/mol

Physical Properties
Molecular Weight: 287.399 g/mol	logS: -3.68182	SlogP: 3.4166	Reactive groups: 0

Topological Properties
Globularity: 0.127158	Sterimol/B1: 2.50013	Sterimol/B2: 2.51411	Sterimol/B3: 5.47621
Sterimol/B4: 9.10439	Sterimol/L: 13.9816

Surface and Volume Properties
Accessible surface: 524.487	Positive charged surface: 325.019	Negative charged surface: 199.468	Volume: 278.375
Hydrophobic surface: 428.58	Hydrophilic surface: 95.907

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.