MMsINC Database Search


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MMsINC code: MMs02004516

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5637 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -2.93331	SlogP: 1.4754	Reactive groups: 0

Topological Properties
Globularity: 0.0501309	Sterimol/B1: 2.49145	Sterimol/B2: 3.46006	Sterimol/B3: 3.79728
Sterimol/B4: 10.0341	Sterimol/L: 17.3252

Surface and Volume Properties
Accessible surface: 633.113	Positive charged surface: 444.251	Negative charged surface: 183.436	Volume: 341.375
Hydrophobic surface: 490.596	Hydrophilic surface: 142.517

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.