MMsINC Database Search


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MMsINC code: MMs01131637

Type: Neutral
Formula: C₂₄H₁₉F₂N₃O

SMILES:

Fc1ccccc1-c1nn(c(c1)C(=O)NC(C)c1ccccc1)-c1ccc(F)cc1

InChI:

InChI=1/C24H19F2N3O/c1-16(17-7-3-2-4-8-17)27-24(30)23-15-22(20-9-5-6-10-21(20)26)28-29(23)19-13-11-18(25)12-14-19/h2-16H,1H3,(H,27,30)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5428 kcal/mol

Physical Properties
Molecular Weight: 403.432 g/mol	logS: -6.91809	SlogP: 5.404	Reactive groups: 0

Topological Properties
Globularity: 0.0655265	Sterimol/B1: 2.09844	Sterimol/B2: 5.5121	Sterimol/B3: 7.26325
Sterimol/B4: 7.79578	Sterimol/L: 16.2929

Surface and Volume Properties
Accessible surface: 674.011	Positive charged surface: 345.506	Negative charged surface: 328.505	Volume: 375.375
Hydrophobic surface: 618.424	Hydrophilic surface: 55.587

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.