MMsINC Database Search


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MMsINC code: MMs01611213

Type: Neutral
Formula: C₁₉H₂₃N₃O₅

SMILES:

O=C1N(CC(=O)Nc2ccc(cc2)C(OC)=O)C(=O)N(C)C12CCCCC2

InChI:

InChI=1/C19H23N3O5/c1-21-18(26)22(17(25)19(21)10-4-3-5-11-19)12-15(23)20-14-8-6-13(7-9-14)16(24)27-2/h6-9H,3-5,10-12H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.728 kcal/mol

Physical Properties
Molecular Weight: 373.409 g/mol	logS: -3.7778	SlogP: 2.0086	Reactive groups: 0

Topological Properties
Globularity: 0.0565781	Sterimol/B1: 2.21844	Sterimol/B2: 4.47805	Sterimol/B3: 5.10997
Sterimol/B4: 5.7726	Sterimol/L: 18.6815

Surface and Volume Properties
Accessible surface: 623.903	Positive charged surface: 436.293	Negative charged surface: 187.611	Volume: 343.125
Hydrophobic surface: 480.853	Hydrophilic surface: 143.05

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.