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MMsINC code: MMs02847324

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(CC(O)CNCCOc1ccc(cc1)C(=O)N)c1ccccc1C

InChI:

InChI=1/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4152 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.25697	SlogP: 1.50222	Reactive groups: 0

Topological Properties
Globularity: 0.0276977	Sterimol/B1: 2.13107	Sterimol/B2: 2.15154	Sterimol/B3: 4.57388
Sterimol/B4: 7.04277	Sterimol/L: 22.1557

Surface and Volume Properties
Accessible surface: 664.357	Positive charged surface: 438.582	Negative charged surface: 225.774	Volume: 341
Hydrophobic surface: 497.3	Hydrophilic surface: 167.057

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02847325
PUBCHEM-ZINC02007885