MMsINC Database Search


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MMsINC code: MMs01562695

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(Nc1c(cccc1C)C(C)C)c1cc(N(C)C)ccc1

InChI:

InChI=1/C19H24N2O/c1-13(2)17-11-6-8-14(3)18(17)20-19(22)15-9-7-10-16(12-15)21(4)5/h6-13H,1-5H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.799 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -4.63366	SlogP: 4.43672	Reactive groups: 0

Topological Properties
Globularity: 0.124644	Sterimol/B1: 2.34709	Sterimol/B2: 3.62023	Sterimol/B3: 5.15661
Sterimol/B4: 7.96224	Sterimol/L: 15.6504

Surface and Volume Properties
Accessible surface: 577.12	Positive charged surface: 395.316	Negative charged surface: 181.804	Volume: 318.375
Hydrophobic surface: 514.356	Hydrophilic surface: 62.764

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.