MMsINC Database Search


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

MMsINC code: MMs00975639

Type: Neutral
Formula: C₂₅H₂₀FN₃

SMILES:

Fc1c2ncc3c(n(nc3-c3ccc(cc3)C)-c3cccc(C)c3C)c2ccc1

InChI:

InChI=1/C25H20FN3/c1-15-10-12-18(13-11-15)23-20-14-27-24-19(7-5-8-21(24)26)25(20)29(28-23)22-9-4-6-16(2)17(22)3/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.213 kcal/mol

Physical Properties
Molecular Weight: 381.454 g/mol	logS: -7.77248	SlogP: 6.30506	Reactive groups: 0

Topological Properties
Globularity: 0.098328	Sterimol/B1: 3.94882	Sterimol/B2: 4.35099	Sterimol/B3: 4.65987
Sterimol/B4: 8.07193	Sterimol/L: 15.8539

Surface and Volume Properties
Accessible surface: 642.433	Positive charged surface: 363.193	Negative charged surface: 271.3	Volume: 373.75
Hydrophobic surface: 609.6	Hydrophilic surface: 32.833

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.