MMsINC Database Search


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MMsINC code: MMs00979208

Type: Tautomer
Formula: C₂₄H₂₄F₂N₂

SMILES:

Fc1ccccc1C1N(CCN1Cc1cc(ccc1)C)Cc1ccccc1F

InChI:

InChI=1/C24H24F2N2/c1-18-7-6-8-19(15-18)16-27-13-14-28(17-20-9-2-4-11-22(20)25)24(27)21-10-3-5-12-23(21)26/h2-12,15,24H,13-14,16-17H2,1H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.737 kcal/mol

Physical Properties
Molecular Weight: 378.466 g/mol	logS: -5.78347	SlogP: 5.91812	Reactive groups: 0

Topological Properties
Globularity: 0.0859085	Sterimol/B1: 2.83355	Sterimol/B2: 3.46394	Sterimol/B3: 3.73314
Sterimol/B4: 10.0192	Sterimol/L: 16.1929

Surface and Volume Properties
Accessible surface: 637.669	Positive charged surface: 386.138	Negative charged surface: 251.531	Volume: 373.75
Hydrophobic surface: 625.763	Hydrophilic surface: 11.906

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Parent related molecule:

MMs00979207
CHEMDIV-ZINC05014148