MMsINC Database Search


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MMsINC code: MMs01655158

Type: Neutral
Formula: C₁₉H₁₈FNO₅S

SMILES:

s1c(ccc1CC(=O)N1CCOCC1)C(=O)COC(=O)c1ccc(F)cc1

InChI:

InChI=1/C19H18FNO5S/c20-14-3-1-13(2-4-14)19(24)26-12-16(22)17-6-5-15(27-17)11-18(23)21-7-9-25-10-8-21/h1-6H,7-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5854 kcal/mol

Physical Properties
Molecular Weight: 391.419 g/mol	logS: -4.51352	SlogP: 2.32817	Reactive groups: 0

Topological Properties
Globularity: 0.030121	Sterimol/B1: 2.40234	Sterimol/B2: 3.10833	Sterimol/B3: 4.18216
Sterimol/B4: 6.9995	Sterimol/L: 20.9726

Surface and Volume Properties
Accessible surface: 646.68	Positive charged surface: 389.194	Negative charged surface: 257.486	Volume: 342.875
Hydrophobic surface: 534.516	Hydrophilic surface: 112.164

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.