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MMsINC code: MMs03211004

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1N)Cc1cc(C(OCCCC)=O)c(N)cc1

InChI:

InChI=1/C19H24N2O3/c1-3-4-9-24-19(22)15-11-13(5-7-16(15)20)10-14-6-8-17(21)18(12-14)23-2/h5-8,11-12H,3-4,9-10,20-21H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3097 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -4.41933	SlogP: 3.40727	Reactive groups: 0

Topological Properties
Globularity: 0.0767044	Sterimol/B1: 3.71562	Sterimol/B2: 3.77941	Sterimol/B3: 3.78732
Sterimol/B4: 8.92338	Sterimol/L: 16.0779

Surface and Volume Properties
Accessible surface: 619.228	Positive charged surface: 463.395	Negative charged surface: 155.833	Volume: 332.125
Hydrophobic surface: 453.866	Hydrophilic surface: 165.362

Pharmacophoric Properties
Hydrogen bond donors: 2	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.