MMsINC Database Search


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MMsINC code: MMs01457878

Type: Neutral
Formula: C₁₉H₂₈N₂O₄

SMILES:

O(C(=O)C(NC(=O)c1ccccc1)C(C)C)CC(=O)NC(CC)CC

InChI:

InChI=1/C19H28N2O4/c1-5-15(6-2)20-16(22)12-25-19(24)17(13(3)4)21-18(23)14-10-8-7-9-11-14/h7-11,13,15,17H,5-6,12H2,1-4H3,(H,20,22)(H,21,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0747 kcal/mol

Physical Properties
Molecular Weight: 348.443 g/mol	logS: -3.90046	SlogP: 2.289	Reactive groups: 0

Topological Properties
Globularity: 0.0502576	Sterimol/B1: 3.07179	Sterimol/B2: 3.22786	Sterimol/B3: 4.20884
Sterimol/B4: 6.89798	Sterimol/L: 19.2431

Surface and Volume Properties
Accessible surface: 652.888	Positive charged surface: 425.046	Negative charged surface: 227.842	Volume: 353.5
Hydrophobic surface: 494.611	Hydrophilic surface: 158.277

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.