MMsINC Database Search


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

MMsINC code: MMs00975739

Type: Neutral
Formula: C₂₄H₁₈FN₃O

SMILES:

Fc1ccc(-n2nc(c3c2c2c(nc3)cccc2)-c2ccc(OCC)cc2)cc1

InChI:

InChI=1/C24H18FN3O/c1-2-29-19-13-7-16(8-14-19)23-21-15-26-22-6-4-3-5-20(22)24(21)28(27-23)18-11-9-17(25)10-12-18/h3-15H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.832 kcal/mol

Physical Properties
Molecular Weight: 383.426 g/mol	logS: -7.04176	SlogP: 5.7785	Reactive groups: 0

Topological Properties
Globularity: 0.0267332	Sterimol/B1: 3.13837	Sterimol/B2: 3.2647	Sterimol/B3: 5.70939
Sterimol/B4: 6.46791	Sterimol/L: 18.1487

Surface and Volume Properties
Accessible surface: 640.894	Positive charged surface: 362.049	Negative charged surface: 268.995	Volume: 363.125
Hydrophobic surface: 572.513	Hydrophilic surface: 68.381

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.