MMsINC Database Search


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MMsINC code: MMs03663001

Type: Neutral
Formula: C₁₉H₂₈N₂

SMILES:

[nH]1c(C)c(CC)c(CC)c1\C=C\1/N=C(C)C(CC)=C/1CC

InChI:

InChI=1/C19H28N2/c1-7-14-12(5)20-18(16(14)9-3)11-19-17(10-4)15(8-2)13(6)21-19/h11,20H,7-10H2,1-6H3/b19-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.0184 kcal/mol

Physical Properties
Molecular Weight: 284.447 g/mol	logS: -4.3432	SlogP: 5.37986	Reactive groups: 0

Topological Properties
Globularity: 0.0704653	Sterimol/B1: 2.62873	Sterimol/B2: 4.41142	Sterimol/B3: 4.84927
Sterimol/B4: 5.52599	Sterimol/L: 15.9383

Surface and Volume Properties
Accessible surface: 574.462	Positive charged surface: 395.539	Negative charged surface: 178.923	Volume: 327.125
Hydrophobic surface: 460.583	Hydrophilic surface: 113.879

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03663003
PUBCHEM-ZINC06294617