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MMsINC code: MMs01718260

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O=C1N(CC(O)c2ccccc2)C(=O)NC12CC(CC(C2)C)(C)C

InChI:

InChI=1/C19H26N2O3/c1-13-9-18(2,3)12-19(10-13)16(23)21(17(24)20-19)11-15(22)14-7-5-4-6-8-14/h4-8,13,15,22H,9-12H2,1-3H3,(H,20,24)/t13-,15-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3865 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -4.61665	SlogP: 2.9523	Reactive groups: 0

Topological Properties
Globularity: 0.127088	Sterimol/B1: 2.18966	Sterimol/B2: 3.57448	Sterimol/B3: 5.44784
Sterimol/B4: 6.03091	Sterimol/L: 15.9452

Surface and Volume Properties
Accessible surface: 563.992	Positive charged surface: 365.847	Negative charged surface: 198.145	Volume: 327.75
Hydrophobic surface: 413.168	Hydrophilic surface: 150.824

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.