MMsINC Database Search


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MMsINC code: MMs01298410

Type: Neutral
Formula: C₂₃H₁₇N₃O₃

SMILES:

O1c2cc(NC(=O)c3cn(nc3-c3ccccc3)-c3ccccc3)ccc2OC1

InChI:

InChI=1/C23H17N3O3/c27-23(24-17-11-12-20-21(13-17)29-15-28-20)19-14-26(18-9-5-2-6-10-18)25-22(19)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.205 kcal/mol

Physical Properties
Molecular Weight: 383.407 g/mol	logS: -5.85906	SlogP: 4.5203	Reactive groups: 0

Topological Properties
Globularity: 0.0324536	Sterimol/B1: 2.47681	Sterimol/B2: 2.80871	Sterimol/B3: 3.8198
Sterimol/B4: 10.9208	Sterimol/L: 18.2906

Surface and Volume Properties
Accessible surface: 654.271	Positive charged surface: 367.475	Negative charged surface: 286.796	Volume: 360.125
Hydrophobic surface: 548.934	Hydrophilic surface: 105.337

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.