MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00941067

Type: Neutral
Formula: C₁₉H₁₅FN₂O₄S

SMILES:

S(=O)(=O)(N(C(=O)c1cccnc1)c1ccc(OC)cc1)c1ccc(F)cc1

InChI:

InChI=1/C19H15FN2O4S/c1-26-17-8-6-16(7-9-17)22(19(23)14-3-2-12-21-13-14)27(24,25)18-10-4-15(20)5-11-18/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.644 kcal/mol

Physical Properties
Molecular Weight: 386.403 g/mol	logS: -4.38305	SlogP: 3.265	Reactive groups: 0

Topological Properties
Globularity: 0.145078	Sterimol/B1: 2.139	Sterimol/B2: 3.21157	Sterimol/B3: 4.87809
Sterimol/B4: 10.7972	Sterimol/L: 12.9391

Surface and Volume Properties
Accessible surface: 575.45	Positive charged surface: 322.005	Negative charged surface: 253.445	Volume: 327.625
Hydrophobic surface: 478.475	Hydrophilic surface: 96.975

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.