MMsINC Database Search


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MMsINC code: MMs01185470

Type: Neutral
Formula: C₂₀H₂₅F₃N₄O

SMILES:

FC(F)(F)c1cc(ccc1)Cn1ccnc1CN(C(=O)NC(C)(C)C)C1CC1

InChI:

InChI=1/C20H25F3N4O/c1-19(2,3)25-18(28)27(16-7-8-16)13-17-24-9-10-26(17)12-14-5-4-6-15(11-14)20(21,22)23/h4-6,9-11,16H,7-8,12-13H2,1-3H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.703 kcal/mol

Physical Properties
Molecular Weight: 394.441 g/mol	logS: -3.95475	SlogP: 5.267	Reactive groups: 0

Topological Properties
Globularity: 0.221745	Sterimol/B1: 3.6664	Sterimol/B2: 4.19008	Sterimol/B3: 6.02872
Sterimol/B4: 6.67626	Sterimol/L: 15.5966

Surface and Volume Properties
Accessible surface: 634.261	Positive charged surface: 367.029	Negative charged surface: 267.233	Volume: 367.875
Hydrophobic surface: 404.342	Hydrophilic surface: 229.919

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

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Ions/Tautomers related molecules: no related molecules available.