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MMsINC code: MMs01873052

Type: Neutral
Formula: C₁₉H₂₇N₃O₅

SMILES:

O(C)c1cc2c(NC(=O)C(C(=O)NCCN(CCCC)C)=C2O)cc1OC

InChI:

InChI=1/C19H27N3O5/c1-5-6-8-22(2)9-7-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7107 kcal/mol

Physical Properties
Molecular Weight: 377.441 g/mol	logS: -3.11428	SlogP: 1.7731	Reactive groups: 0

Topological Properties
Globularity: 0.039554	Sterimol/B1: 2.69259	Sterimol/B2: 4.49818	Sterimol/B3: 5.44484
Sterimol/B4: 6.02191	Sterimol/L: 21.9848

Surface and Volume Properties
Accessible surface: 689.371	Positive charged surface: 538.745	Negative charged surface: 150.626	Volume: 364.875
Hydrophobic surface: 506.91	Hydrophilic surface: 182.461

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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

MMs01873053
IBS-ZINC03984853