MMsINC Database Search


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MMsINC code: MMs02737474

Type: Neutral
Formula: C₂₄H₂₀F₂N₄

SMILES:

Fc1ccccc1-c1nc(N2CCN(CC2)c2ccccc2F)c2c(n1)cccc2

InChI:

InChI=1/C24H20F2N4/c25-19-9-3-1-7-17(19)23-27-21-11-5-2-8-18(21)24(28-23)30-15-13-29(14-16-30)22-12-6-4-10-20(22)26/h1-12H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=198.9 kcal/mol

Physical Properties
Molecular Weight: 402.448 g/mol	logS: -7.5193	SlogP: 4.9016	Reactive groups: 0

Topological Properties
Globularity: 0.0360212	Sterimol/B1: 2.47209	Sterimol/B2: 3.56554	Sterimol/B3: 3.59404
Sterimol/B4: 10.7642	Sterimol/L: 18.1384

Surface and Volume Properties
Accessible surface: 654.44	Positive charged surface: 388.249	Negative charged surface: 256.486	Volume: 376.875
Hydrophobic surface: 610.603	Hydrophilic surface: 43.837

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.