MMsINC Database Search


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MMsINC code: MMs01627850

Type: Neutral
Formula: C₁₉H₂₁FN₂O₄S

SMILES:

S(=O)(=O)(N1CCN(CC1)C(=O)C(Oc1ccccc1)C)c1ccccc1F

InChI:

InChI=1/C19H21FN2O4S/c1-15(26-16-7-3-2-4-8-16)19(23)21-11-13-22(14-12-21)27(24,25)18-10-6-5-9-17(18)20/h2-10,15H,11-14H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7739 kcal/mol

Physical Properties
Molecular Weight: 392.451 g/mol	logS: -3.98077	SlogP: 2.1261	Reactive groups: 0

Topological Properties
Globularity: 0.0604215	Sterimol/B1: 2.42061	Sterimol/B2: 3.75082	Sterimol/B3: 5.32943
Sterimol/B4: 5.54603	Sterimol/L: 18.796

Surface and Volume Properties
Accessible surface: 617.312	Positive charged surface: 349.3	Negative charged surface: 268.012	Volume: 349.375
Hydrophobic surface: 509.464	Hydrophilic surface: 107.848

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.