MMsINC Database Search


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

MMsINC code: MMs01154042

Type: Neutral
Formula: C₂₃H₂₄FN₃O₃

SMILES:

Fc1ccc(-n2nc(cc2C(=O)N2CC(OC(C2)C)C)-c2ccc(OC)cc2)cc1

InChI:

InChI=1/C23H24FN3O3/c1-15-13-26(14-16(2)30-15)23(28)22-12-21(17-4-10-20(29-3)11-5-17)25-27(22)19-8-6-18(24)7-9-19/h4-12,15-16H,13-14H2,1-3H3/t15-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.672 kcal/mol

Physical Properties
Molecular Weight: 409.461 g/mol	logS: -5.41829	SlogP: 3.9364	Reactive groups: 0

Topological Properties
Globularity: 0.062447	Sterimol/B1: 2.87096	Sterimol/B2: 3.25728	Sterimol/B3: 3.74664
Sterimol/B4: 10.8448	Sterimol/L: 17.6462

Surface and Volume Properties
Accessible surface: 691.355	Positive charged surface: 444.61	Negative charged surface: 246.745	Volume: 383.875
Hydrophobic surface: 592.393	Hydrophilic surface: 98.962

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.