MMsINC Database Search


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MMsINC code: MMs01917481

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O1CCOC1CN(CC(=O)N1CCc2[nH]c3c(cc(cc3)C)c2C1)C

InChI:

InChI=1/C19H25N3O3/c1-13-3-4-16-14(9-13)15-10-22(6-5-17(15)20-16)18(23)11-21(2)12-19-24-7-8-25-19/h3-4,9,19-20H,5-8,10-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.567 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -2.73837	SlogP: 1.93209	Reactive groups: 0

Topological Properties
Globularity: 0.125033	Sterimol/B1: 2.81848	Sterimol/B2: 3.51687	Sterimol/B3: 6.19844
Sterimol/B4: 6.21834	Sterimol/L: 16.3079

Surface and Volume Properties
Accessible surface: 595.423	Positive charged surface: 463.404	Negative charged surface: 127.284	Volume: 337.875
Hydrophobic surface: 518.03	Hydrophilic surface: 77.393

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.