MMsINC Database Search


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MMsINC code: MMs00391379

Type: Neutral
Formula: C₂₀H₂₄F₂N₆+2

SMILES:

Fc1ccccc1C([NH+]1CC[NH+](CC1)C)c1nnnn1Cc1ccc(F)cc1

InChI:

InChI=1/C20H22F2N6/c1-26-10-12-27(13-11-26)19(17-4-2-3-5-18(17)22)20-23-24-25-28(20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3/p+2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.195 kcal/mol

Physical Properties
Molecular Weight: 386.45 g/mol	logS: -3.05645	SlogP: -0.1359	Reactive groups: 0

Topological Properties
Globularity: 0.297003	Sterimol/B1: 4.35367	Sterimol/B2: 4.62954	Sterimol/B3: 5.93527
Sterimol/B4: 8.80891	Sterimol/L: 12.8872

Surface and Volume Properties
Accessible surface: 600.49	Positive charged surface: 380.694	Negative charged surface: 186.679	Volume: 367
Hydrophobic surface: 504.071	Hydrophilic surface: 96.419

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 2
Chiral centers: 1

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

MMs00391380
ASINEX-ZINC04873758