MMsINC Database Search


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MMsINC code: MMs02222919

Type: Neutral
Formula: C₁₉H₂₃N

SMILES:

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

InChI:

InChI=1/C19H23N/c1-15(2)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)20(3)4/h5-15H,1-4H3/b6-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4144 kcal/mol

Physical Properties
Molecular Weight: 265.4 g/mol	logS: -5.69083	SlogP: 5.0464	Reactive groups: 0

Topological Properties
Globularity: 0.0199813	Sterimol/B1: 2.37429	Sterimol/B2: 3.44263	Sterimol/B3: 4.68025
Sterimol/B4: 4.87494	Sterimol/L: 18.3916

Surface and Volume Properties
Accessible surface: 563.019	Positive charged surface: 379.886	Negative charged surface: 183.134	Volume: 300.875
Hydrophobic surface: 522.775	Hydrophilic surface: 40.244

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.