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MMsINC code: MMs01879572

Type: Neutral
Formula: C₂₂H₁₉N₃O₃

SMILES:

O1c2cc(ccc2OC1)-c1nc(cc2c1[nH]c1c2cccc1)C(=O)NC(C)C

InChI:

InChI=1/C22H19N3O3/c1-12(2)23-22(26)17-10-15-14-5-3-4-6-16(14)24-21(15)20(25-17)13-7-8-18-19(9-13)28-11-27-18/h3-10,12,24H,11H2,1-2H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0527 kcal/mol

Physical Properties
Molecular Weight: 373.412 g/mol	logS: -5.56707	SlogP: 4.25	Reactive groups: 0

Topological Properties
Globularity: 0.0454599	Sterimol/B1: 2.16281	Sterimol/B2: 3.7005	Sterimol/B3: 4.38813
Sterimol/B4: 11.0233	Sterimol/L: 16.3359

Surface and Volume Properties
Accessible surface: 638.917	Positive charged surface: 384.83	Negative charged surface: 239.557	Volume: 351
Hydrophobic surface: 477.498	Hydrophilic surface: 161.419

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.