MMsINC Database Search


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MMsINC code: MMs02798800

Type: Neutral
Formula: C₁₉H₁₆N₄O₃

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ncc(NC(=O)c2ncccc2)cc1

InChI:

InChI=1/C19H16N4O3/c1-26-15-6-4-5-13(11-15)18(24)23-17-9-8-14(12-21-17)22-19(25)16-7-2-3-10-20-16/h2-12H,1H3,(H,22,25)(H,21,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.334 kcal/mol

Physical Properties
Molecular Weight: 348.362 g/mol	logS: -3.32314	SlogP: 2.9898	Reactive groups: 0

Topological Properties
Globularity: 0.00933918	Sterimol/B1: 2.43023	Sterimol/B2: 2.70071	Sterimol/B3: 3.17168
Sterimol/B4: 5.47427	Sterimol/L: 21.7936

Surface and Volume Properties
Accessible surface: 619.216	Positive charged surface: 411.825	Negative charged surface: 207.391	Volume: 324.5
Hydrophobic surface: 493.474	Hydrophilic surface: 125.742

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.