MMsINC Database Search


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MMsINC code: MMs01451475

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(C)c1ccc(OC)cc1NC(=O)C1=NN(CC)C(=O)c2c1cccc2

InChI:

InChI=1/C19H19N3O4/c1-4-22-19(24)14-8-6-5-7-13(14)17(21-22)18(23)20-15-11-12(25-2)9-10-16(15)26-3/h5-11H,4H2,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.544 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -4.50986	SlogP: 2.5223	Reactive groups: 0

Topological Properties
Globularity: 0.0322176	Sterimol/B1: 2.68855	Sterimol/B2: 3.01013	Sterimol/B3: 3.38912
Sterimol/B4: 9.48429	Sterimol/L: 15.3835

Surface and Volume Properties
Accessible surface: 617.307	Positive charged surface: 436.122	Negative charged surface: 181.185	Volume: 331.25
Hydrophobic surface: 507.675	Hydrophilic surface: 109.632

Pharmacophoric Properties
Hydrogen bond donors: 1	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.