MMsINC Database Search


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MMsINC code: MMs01293617

Type: Neutral
Formula: C₁₉H₁₇N₃O₃

SMILES:

O(C)c1cc(cc(OC)c1)C(=O)N(c1ncccc1)c1ncccc1

InChI:

InChI=1/C19H17N3O3/c1-24-15-11-14(12-16(13-15)25-2)19(23)22(17-7-3-5-9-20-17)18-8-4-6-10-21-18/h3-13H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.465 kcal/mol

Physical Properties
Molecular Weight: 335.363 g/mol	logS: -3.27974	SlogP: 3.4723	Reactive groups: 0

Topological Properties
Globularity: 0.0972691	Sterimol/B1: 2.21398	Sterimol/B2: 2.35814	Sterimol/B3: 5.14875
Sterimol/B4: 7.95288	Sterimol/L: 15.4507

Surface and Volume Properties
Accessible surface: 565.43	Positive charged surface: 408.622	Negative charged surface: 156.808	Volume: 315.5
Hydrophobic surface: 504.512	Hydrophilic surface: 60.918

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.