MMsINC Database Search


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MMsINC code: MMs02142519

Type: Neutral
Formula: C₂₀H₁₉N₃O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)Nc2nc(ccc2)C)cc1

InChI:

InChI=1/C20H19N3O2/c1-15-6-5-9-19(21-15)23-20(24)22-17-10-12-18(13-11-17)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,21,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0039 kcal/mol

Physical Properties
Molecular Weight: 333.391 g/mol	logS: -4.43684	SlogP: 4.87942	Reactive groups: 0

Topological Properties
Globularity: 0.0226532	Sterimol/B1: 2.01151	Sterimol/B2: 3.33535	Sterimol/B3: 3.3777
Sterimol/B4: 7.37883	Sterimol/L: 20.6196

Surface and Volume Properties
Accessible surface: 636.747	Positive charged surface: 381.954	Negative charged surface: 254.793	Volume: 328.375
Hydrophobic surface: 553.027	Hydrophilic surface: 83.72

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.