MMsINC Database Search


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MMsINC code: MMs02275479

Type: Neutral
Formula: C₁₆H₁₄N₄O₅

SMILES:

O(C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccncc1)C

InChI:

InChI=1/C16H14N4O5/c1-25-16(24)11-4-2-3-5-12(11)18-14(22)15(23)20-19-13(21)10-6-8-17-9-7-10/h2-9H,1H3,(H,18,22)(H,19,21)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.164 kcal/mol

Physical Properties
Molecular Weight: 342.311 g/mol	logS: -2.93552	SlogP: 0.2679	Reactive groups: 0

Topological Properties
Globularity: 0.0148832	Sterimol/B1: 1.969	Sterimol/B2: 2.24694	Sterimol/B3: 3.33036
Sterimol/B4: 8.91532	Sterimol/L: 18.1523

Surface and Volume Properties
Accessible surface: 589.145	Positive charged surface: 379.74	Negative charged surface: 209.404	Volume: 301
Hydrophobic surface: 403.287	Hydrophilic surface: 185.858

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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: no related molecules available.