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MMsINC code: MMs02050145

Type: Neutral
Formula: C₁₅H₂₃N₃O₅

SMILES:

o1cccc1C(N1CCOCC1)CNC(=O)C(=O)NCCOC

InChI:

InChI=1/C15H23N3O5/c1-21-8-4-16-14(19)15(20)17-11-12(13-3-2-7-23-13)18-5-9-22-10-6-18/h2-3,7,12H,4-6,8-11H2,1H3,(H,16,19)(H,17,20)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2981 kcal/mol

Physical Properties
Molecular Weight: 325.365 g/mol	logS: -1.78716	SlogP: -0.3728	Reactive groups: 0

Topological Properties
Globularity: 0.089748	Sterimol/B1: 3.26855	Sterimol/B2: 4.4137	Sterimol/B3: 5.81187
Sterimol/B4: 6.05603	Sterimol/L: 16.6687

Surface and Volume Properties
Accessible surface: 598.116	Positive charged surface: 460.468	Negative charged surface: 137.647	Volume: 307
Hydrophobic surface: 489.463	Hydrophilic surface: 108.653

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs02050146
IFLAB-ZINC04376288