MMsINC Database Search


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MMsINC code: MMs01524674

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)NCCc1ccc(F)cc1

InChI:

InChI=1/C19H21FN2O3S/c20-17-7-3-15(4-8-17)11-12-21-19(23)16-5-9-18(10-6-16)26(24,25)22-13-1-2-14-22/h3-10H,1-2,11-14H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4413 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -4.1213	SlogP: 2.58267	Reactive groups: 0

Topological Properties
Globularity: 0.0485133	Sterimol/B1: 3.39545	Sterimol/B2: 3.85103	Sterimol/B3: 4.37423
Sterimol/B4: 5.13646	Sterimol/L: 19.9758

Surface and Volume Properties
Accessible surface: 635.482	Positive charged surface: 369.021	Negative charged surface: 266.461	Volume: 342
Hydrophobic surface: 533.885	Hydrophilic surface: 101.597

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.