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MMsINC code: MMs01180638

Type: Neutral
Formula: C₁₉H₂₆N₂O₄

SMILES:

o1ccc(C(=O)N(Cc2occc2)CCC(=O)NC(C(C)C)C)c1C

InChI:

InChI=1/C19H26N2O4/c1-13(2)14(3)20-18(22)7-9-21(12-16-6-5-10-25-16)19(23)17-8-11-24-15(17)4/h5-6,8,10-11,13-14H,7,9,12H2,1-4H3,(H,20,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8699 kcal/mol

Physical Properties
Molecular Weight: 346.427 g/mol	logS: -3.96898	SlogP: 3.64062	Reactive groups: 0

Topological Properties
Globularity: 0.122525	Sterimol/B1: 2.0813	Sterimol/B2: 2.55798	Sterimol/B3: 6.08824
Sterimol/B4: 9.83538	Sterimol/L: 16.625

Surface and Volume Properties
Accessible surface: 636.747	Positive charged surface: 368.465	Negative charged surface: 268.282	Volume: 350.75
Hydrophobic surface: 495.3	Hydrophilic surface: 141.447

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.