MMsINC Database Search


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MMsINC code: MMs00534078

Type: Neutral
Formula: C₁₉H₂₅N₃O₄

SMILES:

O1CCN(CC1)C(=O)CN1C(=O)C(NC1=O)(C(C)(C)C)c1ccccc1

InChI:

InChI=1/C19H25N3O4/c1-18(2,3)19(14-7-5-4-6-8-14)16(24)22(17(25)20-19)13-15(23)21-9-11-26-12-10-21/h4-8H,9-13H2,1-3H3,(H,20,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1259 kcal/mol

Physical Properties
Molecular Weight: 359.426 g/mol	logS: -3.09297	SlogP: 1.6501	Reactive groups: 0

Topological Properties
Globularity: 0.105017	Sterimol/B1: 2.14934	Sterimol/B2: 3.41783	Sterimol/B3: 6.04998
Sterimol/B4: 6.17261	Sterimol/L: 15.848

Surface and Volume Properties
Accessible surface: 579.828	Positive charged surface: 399.251	Negative charged surface: 180.577	Volume: 341.625
Hydrophobic surface: 437.307	Hydrophilic surface: 142.521

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.