MMsINC Database Search


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MMsINC code: MMs01185471

Type: Neutral
Formula: C₁₉H₂₃F₃N₄O

SMILES:

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

InChI:

InChI=1/C19H23F3N4O/c1-2-8-24-18(27)26(16-6-7-16)13-17-23-9-10-25(17)12-14-4-3-5-15(11-14)19(20,21)22/h3-5,9-11,16H,2,6-8,12-13H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1476 kcal/mol

Physical Properties
Molecular Weight: 380.414 g/mol	logS: -3.5021	SlogP: 4.8785	Reactive groups: 0

Topological Properties
Globularity: 0.230767	Sterimol/B1: 2.56643	Sterimol/B2: 5.07587	Sterimol/B3: 5.81485
Sterimol/B4: 8.70742	Sterimol/L: 15.5887

Surface and Volume Properties
Accessible surface: 638.423	Positive charged surface: 383.069	Negative charged surface: 255.354	Volume: 351.625
Hydrophobic surface: 424.101	Hydrophilic surface: 214.322

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.