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MMsINC code: MMs02843425

Type: Neutral
Formula: C₁₉H₂₈N₂O₃

SMILES:

O(C)c1cc2c([nH]cc2CCN(CCCCOC(=O)C)CC)cc1

InChI:

InChI=1/C19H28N2O3/c1-4-21(10-5-6-12-24-15(2)22)11-9-16-14-20-19-8-7-17(23-3)13-18(16)19/h7-8,13-14,20H,4-6,9-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7432 kcal/mol

Physical Properties
Molecular Weight: 332.444 g/mol	logS: -2.80436	SlogP: 3.38417	Reactive groups: 0

Topological Properties
Globularity: 0.0560389	Sterimol/B1: 2.10476	Sterimol/B2: 2.64244	Sterimol/B3: 4.75857
Sterimol/B4: 10.9159	Sterimol/L: 18.3542

Surface and Volume Properties
Accessible surface: 669.603	Positive charged surface: 483.664	Negative charged surface: 181.117	Volume: 346.875
Hydrophobic surface: 540.246	Hydrophilic surface: 129.357

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02843426
PUBCHEM-ZINC02001157