MMsINC Database Search


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MMsINC code: MMs01628797

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C(=O)NCc1ccccc1F

InChI:

InChI=1/C20H23FN2O3S/c21-19-8-4-3-7-17(19)15-22-20(24)16-9-11-18(12-10-16)27(25,26)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.567 kcal/mol

Physical Properties
Molecular Weight: 390.479 g/mol	logS: -4.46337	SlogP: 3.5868	Reactive groups: 0

Topological Properties
Globularity: 0.0431218	Sterimol/B1: 3.1966	Sterimol/B2: 3.7322	Sterimol/B3: 4.82686
Sterimol/B4: 5.89961	Sterimol/L: 18.8508

Surface and Volume Properties
Accessible surface: 636.296	Positive charged surface: 370.353	Negative charged surface: 265.943	Volume: 357.5
Hydrophobic surface: 543.334	Hydrophilic surface: 92.962

Pharmacophoric Properties
Hydrogen bond donors: 1	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.