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MMsINC code: MMs02698644

Type: Neutral
Formula: C₁₉H₁₅N₃O₃

SMILES:

OC(=O)c1cc(NC(=O)c2cnc(nc2C)-c2ccccc2)ccc1

InChI:

InChI=1/C19H15N3O3/c1-12-16(11-20-17(21-12)13-6-3-2-4-7-13)18(23)22-15-9-5-8-14(10-15)19(24)25/h2-11H,1H3,(H,22,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1197 kcal/mol

Physical Properties
Molecular Weight: 333.347 g/mol	logS: -5.22618	SlogP: 3.40252	Reactive groups: 0

Topological Properties
Globularity: 0.00950767	Sterimol/B1: 2.15058	Sterimol/B2: 2.15141	Sterimol/B3: 3.17069
Sterimol/B4: 7.01674	Sterimol/L: 19.0496

Surface and Volume Properties
Accessible surface: 581.555	Positive charged surface: 341.879	Negative charged surface: 234.666	Volume: 310
Hydrophobic surface: 440.761	Hydrophilic surface: 140.794

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

MMs02698645
PUBCHEM-ZINC00516107