MMsINC Database Search


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

MMsINC code: MMs00797400

Type: Neutral
Formula: C₂₀H₂₀FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)N(Cc1onc(n1)-c1cc(ccc1)C)C(C)C

InChI:

InChI=1/C20H20FN3O2/c1-13(2)24(20(25)15-7-9-17(21)10-8-15)12-18-22-19(23-26-18)16-6-4-5-14(3)11-16/h4-11,13H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=277.668 kcal/mol

Physical Properties
Molecular Weight: 353.397 g/mol	logS: -6.41509	SlogP: 4.50132	Reactive groups: 0

Topological Properties
Globularity: 0.0536448	Sterimol/B1: 2.66892	Sterimol/B2: 3.86702	Sterimol/B3: 5.03769
Sterimol/B4: 5.85936	Sterimol/L: 18.13

Surface and Volume Properties
Accessible surface: 602.709	Positive charged surface: 334.685	Negative charged surface: 268.024	Volume: 330.875
Hydrophobic surface: 493.809	Hydrophilic surface: 108.9

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.