MMsINC Database Search


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MMsINC code: MMs00834702

Type: Neutral
Formula: C₁₉H₁₅N₃O₂

SMILES:

O=C(Nc1cccnc1)c1ccccc1NC(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.637 kcal/mol

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

Topological Properties
Globularity: 0.022096	Sterimol/B1: 2.58214	Sterimol/B2: 2.97077	Sterimol/B3: 3.02232
Sterimol/B4: 9.40461	Sterimol/L: 15.2923

Surface and Volume Properties
Accessible surface: 563.633	Positive charged surface: 337.077	Negative charged surface: 226.556	Volume: 301.375
Hydrophobic surface: 492.318	Hydrophilic surface: 71.315

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.