MMsINC Database Search


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MMsINC code: MMs02068269

Type: Neutral
Formula: C₁₄H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(NC1CCCC1)CCNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C14H19FN2O3S/c15-12-7-5-11(6-8-12)14(18)16-9-10-21(19,20)17-13-3-1-2-4-13/h5-8,13,17H,1-4,9-10H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.4205 kcal/mol

Physical Properties
Molecular Weight: 314.381 g/mol	logS: -2.59037	SlogP: 1.4175	Reactive groups: 0

Topological Properties
Globularity: 0.0269027	Sterimol/B1: 2.61113	Sterimol/B2: 3.44047	Sterimol/B3: 4.27403
Sterimol/B4: 5.19378	Sterimol/L: 17.0266

Surface and Volume Properties
Accessible surface: 550.832	Positive charged surface: 321.321	Negative charged surface: 229.511	Volume: 280.625
Hydrophobic surface: 426.312	Hydrophilic surface: 124.52

Pharmacophoric Properties
Hydrogen bond donors: 2	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.