MMsINC Database Search


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MMsINC code: MMs02610882

Type: Neutral
Formula: C₂₀H₁₉FN₄

SMILES:

Fc1ccc(cc1)-c1nc(nc(N2CCCCC2)c1)-c1ccncc1

InChI:

InChI=1/C20H19FN4/c21-17-6-4-15(5-7-17)18-14-19(25-12-2-1-3-13-25)24-20(23-18)16-8-10-22-11-9-16/h4-11,14H,1-3,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8179 kcal/mol

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

Topological Properties
Globularity: 0.0292811	Sterimol/B1: 3.07174	Sterimol/B2: 3.19284	Sterimol/B3: 5.32006
Sterimol/B4: 8.38778	Sterimol/L: 14.915

Surface and Volume Properties
Accessible surface: 582.488	Positive charged surface: 378.464	Negative charged surface: 192.953	Volume: 325.25
Hydrophobic surface: 530.876	Hydrophilic surface: 51.612

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.