MMsINC Database Search


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MMsINC code: MMs00162826

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(C)c1c(OC)cc(NC(=O)Nc2c3ncccc3ccc2)cc1OC

InChI:

InChI=1/C19H19N3O4/c1-24-15-10-13(11-16(25-2)18(15)26-3)21-19(23)22-14-8-4-6-12-7-5-9-20-17(12)14/h4-11H,1-3H3,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.054 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -3.99173	SlogP: 3.9046	Reactive groups: 0

Topological Properties
Globularity: 0.0603413	Sterimol/B1: 2.00414	Sterimol/B2: 3.21823	Sterimol/B3: 4.77866
Sterimol/B4: 9.00026	Sterimol/L: 17.7604

Surface and Volume Properties
Accessible surface: 624.504	Positive charged surface: 477.761	Negative charged surface: 141.442	Volume: 331.125
Hydrophobic surface: 533.622	Hydrophilic surface: 90.882

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.