MMsINC Database Search


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MMsINC code: MMs02444076

Type: Neutral
Formula: C₁₈H₂₂N₂

SMILES:

N(C)(C)c1ccc(cc1)\C=C/c1ccc(N(C)C)cc1

InChI:

InChI=1/C18H22N2/c1-19(2)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(3)4/h5-14H,1-4H3/b6-5-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.705 kcal/mol

Physical Properties
Molecular Weight: 266.388 g/mol	logS: -4.11388	SlogP: 3.989	Reactive groups: 0

Topological Properties
Globularity: 0.108437	Sterimol/B1: 2.343	Sterimol/B2: 2.51138	Sterimol/B3: 4.7911
Sterimol/B4: 8.35185	Sterimol/L: 13.8052

Surface and Volume Properties
Accessible surface: 525.907	Positive charged surface: 415.373	Negative charged surface: 110.534	Volume: 293.5
Hydrophobic surface: 525.683	Hydrophilic surface: 0.22400000000005

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: no related molecules available.