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MMsINC code: MMs03479154

Type: Neutral
Formula: C₁₉H₂₃N₃O₅

SMILES:

O(C)c1cc(nc2c1cccc2)C(=O)N1N(CCC1)C(=O)COCCOC

InChI:

InChI=1/C19H23N3O5/c1-25-10-11-27-13-18(23)21-8-5-9-22(21)19(24)16-12-17(26-2)14-6-3-4-7-15(14)20-16/h3-4,6-7,12H,5,8-11,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.514 kcal/mol

Physical Properties
Molecular Weight: 373.409 g/mol	logS: -3.03125	SlogP: 1.4959	Reactive groups: 0

Topological Properties
Globularity: 0.0741636	Sterimol/B1: 2.52855	Sterimol/B2: 5.43019	Sterimol/B3: 5.5387
Sterimol/B4: 7.61768	Sterimol/L: 17.8238

Surface and Volume Properties
Accessible surface: 657.031	Positive charged surface: 510.738	Negative charged surface: 141.291	Volume: 350
Hydrophobic surface: 571.127	Hydrophilic surface: 85.904

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.