MMsINC Database Search


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MMsINC code: MMs00911668

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(C)c1ccc(cc1)CC1C(=O)N(Cc2ccccc2)C(=O)NC1=O

InChI:

InChI=1/C19H18N2O4/c1-25-15-9-7-13(8-10-15)11-16-17(22)20-19(24)21(18(16)23)12-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,22,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8255 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.82593	SlogP: 2.39887	Reactive groups: 0

Topological Properties
Globularity: 0.0662984	Sterimol/B1: 2.74587	Sterimol/B2: 3.55646	Sterimol/B3: 4.65546
Sterimol/B4: 5.64342	Sterimol/L: 17.5349

Surface and Volume Properties
Accessible surface: 571.367	Positive charged surface: 362.677	Negative charged surface: 208.69	Volume: 314.25
Hydrophobic surface: 449.098	Hydrophilic surface: 122.269

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.