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MMsINC code: MMs03027807

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

Oc1cc2c(CCCC23CC(=O)N(CCCCN(C)C)C3=O)cc1

InChI:

InChI=1/C19H26N2O3/c1-20(2)10-3-4-11-21-17(23)13-19(18(21)24)9-5-6-14-7-8-15(22)12-16(14)19/h7-8,12,22H,3-6,9-11,13H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7156 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -2.80747	SlogP: 2.06697	Reactive groups: 0

Topological Properties
Globularity: 0.0642014	Sterimol/B1: 3.01451	Sterimol/B2: 4.05872	Sterimol/B3: 4.45479
Sterimol/B4: 6.31353	Sterimol/L: 17.4333

Surface and Volume Properties
Accessible surface: 592.484	Positive charged surface: 444.232	Negative charged surface: 148.253	Volume: 327.625
Hydrophobic surface: 483.632	Hydrophilic surface: 108.852

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs03027808
PUBCHEM-ZINC03631742