MMsINC Database Search


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MMsINC code: MMs00919186

Type: Neutral
Formula: C₁₈H₁₈N₄O₄

SMILES:

O=C1N(CCOC)C(=O)Nc2c1ccc(c2)C(=O)NCc1ncccc1

InChI:

InChI=1/C18H18N4O4/c1-26-9-8-22-17(24)14-6-5-12(10-15(14)21-18(22)25)16(23)20-11-13-4-2-3-7-19-13/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.092 kcal/mol

Physical Properties
Molecular Weight: 354.366 g/mol	logS: -2.78336	SlogP: 1.9121	Reactive groups: 0

Topological Properties
Globularity: 0.0530525	Sterimol/B1: 2.09219	Sterimol/B2: 3.47897	Sterimol/B3: 4.79026
Sterimol/B4: 5.58299	Sterimol/L: 19.1243

Surface and Volume Properties
Accessible surface: 617.855	Positive charged surface: 432.176	Negative charged surface: 185.679	Volume: 325.25
Hydrophobic surface: 465.436	Hydrophilic surface: 152.419

Pharmacophoric Properties
Hydrogen bond donors: 2	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.