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MMsINC code: MMs03646582

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O1CCCC1C(=O)N(CC1=Cc2c(NC1=O)cc(OC)cc2)CCC

InChI:

InChI=1/C19H24N2O4/c1-3-8-21(19(23)17-5-4-9-25-17)12-14-10-13-6-7-15(24-2)11-16(13)20-18(14)22/h6-7,10-11,17H,3-5,8-9,12H2,1-2H3,(H,20,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6146 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.56574	SlogP: 2.4483	Reactive groups: 0

Topological Properties
Globularity: 0.0562218	Sterimol/B1: 2.2894	Sterimol/B2: 2.6834	Sterimol/B3: 4.59836
Sterimol/B4: 8.62762	Sterimol/L: 17.5749

Surface and Volume Properties
Accessible surface: 598.52	Positive charged surface: 434.362	Negative charged surface: 164.158	Volume: 337
Hydrophobic surface: 465.832	Hydrophilic surface: 132.688

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: no related molecules available.