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MMsINC code: MMs01615284

Type: Neutral
Formula: C₁₈H₁₈N₄O₆

SMILES:

O(C(=O)C(OCCNC(=O)c1cccnc1)=O)CCNC(=O)c1cccnc1

InChI:

InChI=1/C18H18N4O6/c23-15(13-3-1-5-19-11-13)21-7-9-27-17(25)18(26)28-10-8-22-16(24)14-4-2-6-20-12-14/h1-6,11-12H,7-10H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7387 kcal/mol

Physical Properties
Molecular Weight: 386.364 g/mol	logS: -1.77154	SlogP: -0.2772	Reactive groups: 0

Topological Properties
Globularity: 0.0630879	Sterimol/B1: 2.96817	Sterimol/B2: 3.33131	Sterimol/B3: 5.05436
Sterimol/B4: 6.55457	Sterimol/L: 20.3224

Surface and Volume Properties
Accessible surface: 694.731	Positive charged surface: 479.475	Negative charged surface: 215.256	Volume: 347.25
Hydrophobic surface: 492.742	Hydrophilic surface: 201.989

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.