MMsINC Database Search


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MMsINC code: MMs01457236

Type: Neutral
Formula: C₁₉H₂₇N₃O₃

SMILES:

O=C1N(CC(=O)N(C(C)C)C(C)C)C(=O)NC1(C)c1ccc(cc1)C

InChI:

InChI=1/C19H27N3O3/c1-12(2)22(13(3)4)16(23)11-21-17(24)19(6,20-18(21)25)15-9-7-14(5)8-10-15/h7-10,12-13H,11H2,1-6H3,(H,20,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7372 kcal/mol

Physical Properties
Molecular Weight: 345.443 g/mol	logS: -3.97894	SlogP: 2.71892	Reactive groups: 0

Topological Properties
Globularity: 0.0889671	Sterimol/B1: 3.32111	Sterimol/B2: 3.86277	Sterimol/B3: 4.54405
Sterimol/B4: 6.21727	Sterimol/L: 16.5299

Surface and Volume Properties
Accessible surface: 614.388	Positive charged surface: 379.177	Negative charged surface: 235.21	Volume: 347.5
Hydrophobic surface: 429.215	Hydrophilic surface: 185.173

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.