MMsINC Database Search


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MMsINC code: MMs02993476

Type: Neutral
Formula: C₁₉H₁₂N₄O₃

SMILES:

O=C1N(C(=O)c2c1cc(cc2)C(=O)Nc1ncccc1)c1ncccc1

InChI:

InChI=1/C19H12N4O3/c24-17(22-15-5-1-3-9-20-15)12-7-8-13-14(11-12)19(26)23(18(13)25)16-6-2-4-10-21-16/h1-11H,(H,20,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8846 kcal/mol

Physical Properties
Molecular Weight: 344.33 g/mol	logS: -3.83482	SlogP: 2.5295	Reactive groups: 0

Topological Properties
Globularity: 0.000410631	Sterimol/B1: 2.13839	Sterimol/B2: 2.3106	Sterimol/B3: 4.22201
Sterimol/B4: 4.75557	Sterimol/L: 20.0031

Surface and Volume Properties
Accessible surface: 572.625	Positive charged surface: 335.548	Negative charged surface: 237.076	Volume: 306.875
Hydrophobic surface: 431.173	Hydrophilic surface: 141.452

Pharmacophoric Properties
Hydrogen bond donors: 1	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.