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MMsINC code: MMs00461363

Type: Neutral
Formula: C₁₉H₂₈N₂O₃

SMILES:

O(CCCCCCC(C)C)c1ccc(cc1)C1(NC(=O)NC1=O)C

InChI:

InChI=1/C19H28N2O3/c1-14(2)8-6-4-5-7-13-24-16-11-9-15(10-12-16)19(3)17(22)20-18(23)21-19/h9-12,14H,4-8,13H2,1-3H3,(H2,20,21,22,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3103 kcal/mol

Physical Properties
Molecular Weight: 332.444 g/mol	logS: -5.90627	SlogP: 4.038	Reactive groups: 0

Topological Properties
Globularity: 0.0297265	Sterimol/B1: 2.84867	Sterimol/B2: 2.96107	Sterimol/B3: 4.89134
Sterimol/B4: 5.96916	Sterimol/L: 21.3354

Surface and Volume Properties
Accessible surface: 646.513	Positive charged surface: 446.497	Negative charged surface: 200.016	Volume: 341.625
Hydrophobic surface: 446.141	Hydrophilic surface: 200.372

Pharmacophoric Properties
Hydrogen bond donors: 2	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.