MMsINC Database Search


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MMsINC code: MMs01973490

Type: Neutral
Formula: C₁₉H₁₅N₃O₂

SMILES:

O=C(Nc1ccncc1NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H15N3O2/c23-18(14-7-3-1-4-8-14)21-16-11-12-20-13-17(16)22-19(24)15-9-5-2-6-10-15/h1-13H,(H,22,24)(H,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.004 kcal/mol

Physical Properties
Molecular Weight: 317.348 g/mol	logS: -4.06672	SlogP: 3.5862	Reactive groups: 0

Topological Properties
Globularity: 0.0197942	Sterimol/B1: 2.40308	Sterimol/B2: 2.47417	Sterimol/B3: 3.10004
Sterimol/B4: 9.70131	Sterimol/L: 16.1587

Surface and Volume Properties
Accessible surface: 562.927	Positive charged surface: 322.72	Negative charged surface: 240.207	Volume: 304.375
Hydrophobic surface: 485.475	Hydrophilic surface: 77.452

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.