MMsINC Database Search


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

MMsINC code: MMs03109946

Type: Neutral
Formula: C₁₉H₁₅FN₄O

SMILES:

Fc1ccc(Nc2ncnc3c2cc(cc3)-c2c(noc2C)C)cc1

InChI:

InChI=1/C19H15FN4O/c1-11-18(12(2)25-24-11)13-3-8-17-16(9-13)19(22-10-21-17)23-15-6-4-14(20)5-7-15/h3-10H,1-2H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7557 kcal/mol

Physical Properties
Molecular Weight: 334.354 g/mol	logS: -6.06049	SlogP: 4.78434	Reactive groups: 0

Topological Properties
Globularity: 0.106163	Sterimol/B1: 2.34403	Sterimol/B2: 4.91232	Sterimol/B3: 5.31284
Sterimol/B4: 6.36707	Sterimol/L: 15.773

Surface and Volume Properties
Accessible surface: 568.263	Positive charged surface: 312.42	Negative charged surface: 250.361	Volume: 306.125
Hydrophobic surface: 469.408	Hydrophilic surface: 98.855

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.