MMsINC Database Search


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MMsINC code: MMs02306219

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(C)(C)c1ccc(cc1)C(=CC)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H24N2/c1-6-19(15-7-11-17(12-8-15)20(2)3)16-9-13-18(14-10-16)21(4)5/h6-14H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.302 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.44428	SlogP: 4.08749	Reactive groups: 0

Topological Properties
Globularity: 0.10005	Sterimol/B1: 2.56365	Sterimol/B2: 3.45097	Sterimol/B3: 3.70639
Sterimol/B4: 8.48492	Sterimol/L: 16.6849

Surface and Volume Properties
Accessible surface: 574.029	Positive charged surface: 447.324	Negative charged surface: 126.704	Volume: 313.75
Hydrophobic surface: 562.42	Hydrophilic surface: 11.609

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.