MMsINC Database Search


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MMsINC code: MMs00018753

Type: Neutral
Formula: C₂₀H₂₄F₂N₂

SMILES:

Fc1ccc(cc1)C(CCCN1CCNCC1)c1ccc(F)cc1

InChI:

InChI=1/C20H24F2N2/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24/h3-10,20,23H,1-2,11-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1058 kcal/mol

Physical Properties
Molecular Weight: 330.422 g/mol	logS: -4.18299	SlogP: 3.7821	Reactive groups: 0

Topological Properties
Globularity: 0.102793	Sterimol/B1: 2.97638	Sterimol/B2: 3.27706	Sterimol/B3: 4.84838
Sterimol/B4: 7.62185	Sterimol/L: 16.2721

Surface and Volume Properties
Accessible surface: 596.723	Positive charged surface: 404.738	Negative charged surface: 191.985	Volume: 328.25
Hydrophobic surface: 563.018	Hydrophilic surface: 33.705

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules

MMs00018754
ACROSORGANICS-ZINC05252848