MMsINC Database Search


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

MMsINC code: MMs01126283

Type: Neutral
Formula: C₂₀H₂₀F₂N₄O₂

SMILES:

Fc1cc(F)ccc1NC(=O)N(C(CC)C1=Nc2c(cccc2)C(=O)N1C)C

InChI:

InChI=1/C20H20F2N4O2/c1-4-17(18-23-15-8-6-5-7-13(15)19(27)26(18)3)25(2)20(28)24-16-10-9-12(21)11-14(16)22/h5-11,17H,4H2,1-3H3,(H,24,28)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3021 kcal/mol

Physical Properties
Molecular Weight: 386.402 g/mol	logS: -4.93606	SlogP: 4.0229	Reactive groups: 0

Topological Properties
Globularity: 0.190618	Sterimol/B1: 2.52655	Sterimol/B2: 3.42646	Sterimol/B3: 5.92344
Sterimol/B4: 7.86332	Sterimol/L: 16.8867

Surface and Volume Properties
Accessible surface: 616.546	Positive charged surface: 367.861	Negative charged surface: 248.686	Volume: 351.125
Hydrophobic surface: 535.685	Hydrophilic surface: 80.861

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.