MMsINC Database Search


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MMsINC code: MMs02610978

Type: Neutral
Formula: C₂₀H₁₉FN₄

SMILES:

Fc1ccccc1-c1nc(nc(N2CCCCC2)c1)-c1ccncc1

InChI:

InChI=1/C20H19FN4/c21-17-7-3-2-6-16(17)18-14-19(25-12-4-1-5-13-25)24-20(23-18)15-8-10-22-11-9-15/h2-3,6-11,14H,1,4-5,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9605 kcal/mol

Physical Properties
Molecular Weight: 334.398 g/mol	logS: -5.39824	SlogP: 4.335	Reactive groups: 0

Topological Properties
Globularity: 0.0294237	Sterimol/B1: 2.5571	Sterimol/B2: 3.01392	Sterimol/B3: 3.25032
Sterimol/B4: 11.2052	Sterimol/L: 14.889

Surface and Volume Properties
Accessible surface: 577.35	Positive charged surface: 387.133	Negative charged surface: 179.146	Volume: 324.75
Hydrophobic surface: 526.004	Hydrophilic surface: 51.346

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.