MMsINC Database Search


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MMsINC code: MMs02032383

Type: Neutral
Formula: C₁₉H₁₅F₂N₃O₃S

SMILES:

S(=O)(=O)(Nc1cc(ncc1)C(=O)Nc1ccc(F)cc1F)c1ccc(cc1)C

InChI:

InChI=1/C19H15F2N3O3S/c1-12-2-5-15(6-3-12)28(26,27)24-14-8-9-22-18(11-14)19(25)23-17-7-4-13(20)10-16(17)21/h2-11H,1H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4458 kcal/mol

Physical Properties
Molecular Weight: 403.409 g/mol	logS: -4.97537	SlogP: 3.72132	Reactive groups: 0

Topological Properties
Globularity: 0.0947502	Sterimol/B1: 2.17114	Sterimol/B2: 2.97331	Sterimol/B3: 4.88375
Sterimol/B4: 8.48309	Sterimol/L: 16.2729

Surface and Volume Properties
Accessible surface: 627.299	Positive charged surface: 328.174	Negative charged surface: 299.125	Volume: 337.375
Hydrophobic surface: 491.171	Hydrophilic surface: 136.128

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.