MMsINC Database Search


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

MMsINC code: MMs01138082

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccc(-n2c(cc(C(=O)NCc3cccnc3)c2C)-c2ccccc2)cc1

InChI:

InChI=1/C24H20FN3O/c1-17-22(24(29)27-16-18-6-5-13-26-15-18)14-23(19-7-3-2-4-8-19)28(17)21-11-9-20(25)10-12-21/h2-15H,16H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.768 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -5.20541	SlogP: 5.18322	Reactive groups: 0

Topological Properties
Globularity: 0.0524491	Sterimol/B1: 1.969	Sterimol/B2: 3.54402	Sterimol/B3: 3.69185
Sterimol/B4: 9.79922	Sterimol/L: 18.1298

Surface and Volume Properties
Accessible surface: 655.099	Positive charged surface: 385.242	Negative charged surface: 269.857	Volume: 373
Hydrophobic surface: 592.698	Hydrophilic surface: 62.401

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.