MMsINC Database Search


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MMsINC code: MMs01457708

Type: Neutral
Formula: C₁₉H₂₇N₃O₃

SMILES:

O=C1N(CC(=O)N(C(C)C)C(C)C)C(=O)NC1(CC)c1ccccc1

InChI:

InChI=1/C19H27N3O3/c1-6-19(15-10-8-7-9-11-15)17(24)21(18(25)20-19)12-16(23)22(13(2)3)14(4)5/h7-11,13-14H,6,12H2,1-5H3,(H,20,25)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7728 kcal/mol

Physical Properties
Molecular Weight: 345.443 g/mol	logS: -3.70679	SlogP: 2.8006	Reactive groups: 0

Topological Properties
Globularity: 0.124734	Sterimol/B1: 2.25511	Sterimol/B2: 3.97434	Sterimol/B3: 4.32521
Sterimol/B4: 8.80244	Sterimol/L: 13.8691

Surface and Volume Properties
Accessible surface: 600.607	Positive charged surface: 369.181	Negative charged surface: 231.426	Volume: 347.25
Hydrophobic surface: 424.525	Hydrophilic surface: 176.082

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.