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MMsINC code: MMs00915683

Type: Neutral
Formula: C₁₉H₂₃N₃O₅

SMILES:

O(CC)C(=O)N1CCN(CC1)C(=O)Cc1c2c(n(C)c1C(O)=O)cccc2

InChI:

InChI=1/C19H23N3O5/c1-3-27-19(26)22-10-8-21(9-11-22)16(23)12-14-13-6-4-5-7-15(13)20(2)17(14)18(24)25/h4-7H,3,8-12H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2602 kcal/mol

Physical Properties
Molecular Weight: 373.409 g/mol	logS: -2.41217	SlogP: 2.07887	Reactive groups: 0

Topological Properties
Globularity: 0.065885	Sterimol/B1: 2.0337	Sterimol/B2: 5.43148	Sterimol/B3: 5.91355
Sterimol/B4: 6.05921	Sterimol/L: 18.5874

Surface and Volume Properties
Accessible surface: 635.894	Positive charged surface: 463.149	Negative charged surface: 168.925	Volume: 348.75
Hydrophobic surface: 481.151	Hydrophilic surface: 154.743

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00915684
CHEMDIV-ZINC03660300