MMsINC Database Search


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MMsINC code: MMs01998532

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(CC)c1ccc2c(cccc2)c1C(=O)NC=1N(C)C(=O)N(C)C(=O)C=1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3306 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -4.75177	SlogP: 2.3335	Reactive groups: 0

Topological Properties
Globularity: 0.0344226	Sterimol/B1: 2.46509	Sterimol/B2: 2.78216	Sterimol/B3: 3.43248
Sterimol/B4: 10.6806	Sterimol/L: 15.4698

Surface and Volume Properties
Accessible surface: 574.703	Positive charged surface: 365.512	Negative charged surface: 199.879	Volume: 329.375
Hydrophobic surface: 438.695	Hydrophilic surface: 136.008

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: 1

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Ions/Tautomers related molecules: no related molecules available.