MMsINC Database Search


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MMsINC code: MMs02004518

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

O1CCN(CC1)C(=O)Cn1cc(c2c1cccc2)C(=O)C(=O)NC(C)C

InChI:

InChI=1/C19H23N3O4/c1-13(2)20-19(25)18(24)15-11-22(16-6-4-3-5-14(15)16)12-17(23)21-7-9-26-10-8-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.3959 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -3.05875	SlogP: 1.4738	Reactive groups: 0

Topological Properties
Globularity: 0.069838	Sterimol/B1: 2.77618	Sterimol/B2: 2.89371	Sterimol/B3: 4.45325
Sterimol/B4: 9.29119	Sterimol/L: 16.1647

Surface and Volume Properties
Accessible surface: 636.577	Positive charged surface: 434.543	Negative charged surface: 195.788	Volume: 343.5
Hydrophobic surface: 479.46	Hydrophilic surface: 157.117

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.