MMsINC Database Search


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MMsINC code: MMs01061551

Type: Neutral
Formula: C₁₉H₁₉N₃O₃

SMILES:

O=C1N(c2cc(C)c(NC(=O)c3ccccc3C)cc2N(C)C1=O)C

InChI:

InChI=1/C19H19N3O3/c1-11-7-5-6-8-13(11)17(23)20-14-10-16-15(9-12(14)2)21(3)18(24)19(25)22(16)4/h5-10H,1-4H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.256 kcal/mol

Physical Properties
Molecular Weight: 337.379 g/mol	logS: -4.3303	SlogP: 2.49494	Reactive groups: 0

Topological Properties
Globularity: 0.0227798	Sterimol/B1: 2.54573	Sterimol/B2: 3.10524	Sterimol/B3: 3.32963
Sterimol/B4: 7.56712	Sterimol/L: 16.6141

Surface and Volume Properties
Accessible surface: 564.189	Positive charged surface: 364.821	Negative charged surface: 199.369	Volume: 318.375
Hydrophobic surface: 459.482	Hydrophilic surface: 104.707

Pharmacophoric Properties
Hydrogen bond donors: 1	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.