MMsINC Database Search


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MMsINC code: MMs02011176

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O=C(C(=O)N(C)C1CCCCC1)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C19H24N2O2/c1-13-17(15-11-7-8-12-16(15)20(13)2)18(22)19(23)21(3)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0546 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -3.72481	SlogP: 3.81972	Reactive groups: 0

Topological Properties
Globularity: 0.0554915	Sterimol/B1: 2.11094	Sterimol/B2: 3.59896	Sterimol/B3: 3.79874
Sterimol/B4: 8.45963	Sterimol/L: 15.2152

Surface and Volume Properties
Accessible surface: 550.573	Positive charged surface: 370.338	Negative charged surface: 175.786	Volume: 319.375
Hydrophobic surface: 491.121	Hydrophilic surface: 59.452

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.