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MMsINC code: MMs03167193

Type: Neutral
Formula: C₁₆H₂₀N₄O₅

SMILES:

O=C1N(CC(=O)NC1)C(=O)C(NC(=O)C(N)Cc1ccccc1)CO

InChI:

InChI=1/C16H20N4O5/c17-11(6-10-4-2-1-3-5-10)15(24)19-12(9-21)16(25)20-8-13(22)18-7-14(20)23/h1-5,11-12,21H,6-9,17H2,(H,18,22)(H,19,24)/t11-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.722 kcal/mol

Physical Properties
Molecular Weight: 348.359 g/mol	logS: -1.8566	SlogP: -2.48153	Reactive groups: 0

Topological Properties
Globularity: 0.0582381	Sterimol/B1: 3.38797	Sterimol/B2: 3.69403	Sterimol/B3: 4.84617
Sterimol/B4: 4.85444	Sterimol/L: 17.9329

Surface and Volume Properties
Accessible surface: 586.551	Positive charged surface: 383.189	Negative charged surface: 203.361	Volume: 311.5
Hydrophobic surface: 323.92	Hydrophilic surface: 262.631

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03167194
PUBCHEM-ZINC04760834