MMsINC Database Search


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MMsINC code: MMs02610848

Type: Neutral
Formula: C₂₄H₁₉FN₄

SMILES:

Fc1ccc(cc1)-c1nc(nc(N2CCc3c(C2)cccc3)c1)-c1ncccc1

InChI:

InChI=1/C24H19FN4/c25-20-10-8-18(9-11-20)22-15-23(28-24(27-22)21-7-3-4-13-26-21)29-14-12-17-5-1-2-6-19(17)16-29/h1-11,13,15H,12,14,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.044 kcal/mol

Physical Properties
Molecular Weight: 382.442 g/mol	logS: -6.56466	SlogP: 5.17377	Reactive groups: 0

Topological Properties
Globularity: 0.0304936	Sterimol/B1: 2.88466	Sterimol/B2: 3.81487	Sterimol/B3: 6.9771
Sterimol/B4: 7.70128	Sterimol/L: 16.3597

Surface and Volume Properties
Accessible surface: 652.863	Positive charged surface: 378.374	Negative charged surface: 269.641	Volume: 366
Hydrophobic surface: 599.208	Hydrophilic surface: 53.655

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.