MMsINC Database Search


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MMsINC code: MMs01252000

Type: Neutral
Formula: C₁₆H₁₅F₃N₄O

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)N1CCN(CC1)c1ncccn1

InChI:

InChI=1/C16H15F3N4O/c17-16(18,19)13-4-1-3-12(11-13)14(24)22-7-9-23(10-8-22)15-20-5-2-6-21-15/h1-6,11H,7-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.927 kcal/mol

Physical Properties
Molecular Weight: 336.317 g/mol	logS: -3.85676	SlogP: 2.7693	Reactive groups: 0

Topological Properties
Globularity: 0.126096	Sterimol/B1: 2.41466	Sterimol/B2: 3.36294	Sterimol/B3: 5.57377
Sterimol/B4: 6.1551	Sterimol/L: 15.9959

Surface and Volume Properties
Accessible surface: 544.04	Positive charged surface: 327.198	Negative charged surface: 216.842	Volume: 288.375
Hydrophobic surface: 374.815	Hydrophilic surface: 169.225

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

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Ions/Tautomers related molecules: no related molecules available.