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MMsINC code: MMs03167117

Type: Neutral
Formula: C₁₆H₂₀N₄O₄

SMILES:

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

InChI:

InChI=1/C16H20N4O4/c1-10(16(24)20-9-13(21)18-8-14(20)22)19-15(23)12(17)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9,17H2,1H3,(H,18,21)(H,19,23)/t10-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.26 kcal/mol

Physical Properties
Molecular Weight: 332.36 g/mol	logS: -2.38635	SlogP: -1.45393	Reactive groups: 0

Topological Properties
Globularity: 0.0484385	Sterimol/B1: 2.07612	Sterimol/B2: 3.12829	Sterimol/B3: 5.30408
Sterimol/B4: 5.47251	Sterimol/L: 17.8748

Surface and Volume Properties
Accessible surface: 577.932	Positive charged surface: 359.418	Negative charged surface: 218.514	Volume: 303.875
Hydrophobic surface: 320.914	Hydrophilic surface: 257.018

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03167118
PUBCHEM-ZINC04760649