MMsINC Database Search


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MMsINC code: MMs01190776

Type: Neutral
Formula: C₂₄H₂₀F₂N₄

SMILES:

Fc1ccccc1N1CCN(CC1)c1nc(nc2c1cccc2)-c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=197.878 kcal/mol

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

Topological Properties
Globularity: 0.0358944	Sterimol/B1: 2.48222	Sterimol/B2: 3.56529	Sterimol/B3: 3.59275
Sterimol/B4: 10.8928	Sterimol/L: 18.1471

Surface and Volume Properties
Accessible surface: 661.242	Positive charged surface: 377.318	Negative charged surface: 274.22	Volume: 377.375
Hydrophobic surface: 617.405	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.