MMsINC Database Search


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

MMsINC code: MMs01559840

Type: Neutral
Formula: C₂₃H₁₈FN₃O

SMILES:

Fc1ccc(NC(=O)Cn2c3c(nc2\C=C\c2ccccc2)cccc3)cc1

InChI:

InChI=1/C23H18FN3O/c24-18-11-13-19(14-12-18)25-23(28)16-27-21-9-5-4-8-20(21)26-22(27)15-10-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,28)/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2614 kcal/mol

Physical Properties
Molecular Weight: 371.415 g/mol	logS: -6.0691	SlogP: 5.2509	Reactive groups: 0

Topological Properties
Globularity: 0.103596	Sterimol/B1: 3.77833	Sterimol/B2: 4.05973	Sterimol/B3: 4.86184
Sterimol/B4: 10.1967	Sterimol/L: 14.845

Surface and Volume Properties
Accessible surface: 660.899	Positive charged surface: 345.296	Negative charged surface: 315.603	Volume: 356.375
Hydrophobic surface: 609.379	Hydrophilic surface: 51.52

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.