MMsINC Database Search


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MMsINC code: MMs02809702

Type: Neutral
Formula: C₁₉H₁₅N₃O₂

SMILES:

Oc1ccc(cc1)\C(=N\NC(=O)c1ccncc1)\c1ccccc1

InChI:

InChI=1/C19H15N3O2/c23-17-8-6-15(7-9-17)18(14-4-2-1-3-5-14)21-22-19(24)16-10-12-20-13-11-16/h1-13,23H,(H,22,24)/b21-18-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.57 kcal/mol

Physical Properties
Molecular Weight: 317.348 g/mol	logS: -3.98476	SlogP: 2.9696	Reactive groups: 0

Topological Properties
Globularity: 0.031572	Sterimol/B1: 3.04235	Sterimol/B2: 3.06484	Sterimol/B3: 3.40239
Sterimol/B4: 8.8325	Sterimol/L: 15.9337

Surface and Volume Properties
Accessible surface: 561.923	Positive charged surface: 338.934	Negative charged surface: 222.989	Volume: 306.125
Hydrophobic surface: 441.67	Hydrophilic surface: 120.253

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.