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MMsINC code: MMs02981753

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

OC(=O)C1N(C(=O)C)C(c2[nH]c3c(c2C1)cccc3)CCCCC

InChI:

InChI=1/C19H24N2O3/c1-3-4-5-10-16-18-14(13-8-6-7-9-15(13)20-18)11-17(19(23)24)21(16)12(2)22/h6-9,16-17,20H,3-5,10-11H2,1-2H3,(H,23,24)/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.436 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -4.12955	SlogP: 3.74257	Reactive groups: 0

Topological Properties
Globularity: 0.182037	Sterimol/B1: 2.26081	Sterimol/B2: 2.47098	Sterimol/B3: 5.1382
Sterimol/B4: 10.6807	Sterimol/L: 13.491

Surface and Volume Properties
Accessible surface: 561.833	Positive charged surface: 373.224	Negative charged surface: 183.624	Volume: 321
Hydrophobic surface: 434.974	Hydrophilic surface: 126.859

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02981754
PUBCHEM-ZINC03024596