MMsINC Database Search


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MMsINC code: MMs01640553

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

o1nc(-n2c(C)c(cc2C)C(=O)COc2ccccc2C(=O)N)cc1C

InChI:

InChI=1/C19H19N3O4/c1-11-8-15(13(3)22(11)18-9-12(2)26-21-18)16(23)10-25-17-7-5-4-6-14(17)19(20)24/h4-9H,10H2,1-3H3,(H2,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.595 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -3.8455	SlogP: 2.75116	Reactive groups: 0

Topological Properties
Globularity: 0.0116931	Sterimol/B1: 2.40218	Sterimol/B2: 2.73504	Sterimol/B3: 3.14893
Sterimol/B4: 7.32153	Sterimol/L: 19.0608

Surface and Volume Properties
Accessible surface: 612.325	Positive charged surface: 351.136	Negative charged surface: 261.19	Volume: 332
Hydrophobic surface: 458.52	Hydrophilic surface: 153.805

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.