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MMsINC code: MMs02615618

Type: Neutral
Formula: C₁₇H₁₈N₄O₇

SMILES:

O(c1ccccc1C(=O)NCC(=O)NCC(O)=O)c1nc(OC)cc(OC)n1

InChI:

InChI=1/C17H18N4O7/c1-26-13-7-14(27-2)21-17(20-13)28-11-6-4-3-5-10(11)16(25)19-8-12(22)18-9-15(23)24/h3-7H,8-9H2,1-2H3,(H,18,22)(H,19,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2839 kcal/mol

Physical Properties
Molecular Weight: 390.352 g/mol	logS: -3.71001	SlogP: 0.2167	Reactive groups: 0

Topological Properties
Globularity: 0.130778	Sterimol/B1: 2.54065	Sterimol/B2: 5.55934	Sterimol/B3: 6.57489
Sterimol/B4: 7.48142	Sterimol/L: 16.9903

Surface and Volume Properties
Accessible surface: 658.986	Positive charged surface: 461.21	Negative charged surface: 197.776	Volume: 340.125
Hydrophobic surface: 417.55	Hydrophilic surface: 241.436

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02615619
PEAKDALE-ZINC01743954