MMsINC Database Search


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MMsINC code: MMs01702174

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C19H21FN2O3S/c20-17-8-4-15(5-9-17)14-21-19(23)16-6-10-18(11-7-16)26(24,25)22-12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6037 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -4.2616	SlogP: 3.1967	Reactive groups: 0

Topological Properties
Globularity: 0.0533143	Sterimol/B1: 2.4226	Sterimol/B2: 3.69184	Sterimol/B3: 5.74067
Sterimol/B4: 5.86124	Sterimol/L: 18.2377

Surface and Volume Properties
Accessible surface: 625.065	Positive charged surface: 364.89	Negative charged surface: 260.175	Volume: 340
Hydrophobic surface: 524.751	Hydrophilic surface: 100.314

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.