MMsINC Database Search


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MMsINC code: MMs00172999

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(C)c1ccccc1NC(=O)C1CC(=O)N(C1)c1ccc(OC)cc1

InChI:

InChI=1/C19H20N2O4/c1-24-15-9-7-14(8-10-15)21-12-13(11-18(21)22)19(23)20-16-5-3-4-6-17(16)25-2/h3-10,13H,11-12H2,1-2H3,(H,20,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4739 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -3.36541	SlogP: 2.6954	Reactive groups: 0

Topological Properties
Globularity: 0.039999	Sterimol/B1: 3.53532	Sterimol/B2: 3.77896	Sterimol/B3: 4.47027
Sterimol/B4: 4.75644	Sterimol/L: 19.534

Surface and Volume Properties
Accessible surface: 606.609	Positive charged surface: 423.175	Negative charged surface: 183.433	Volume: 323.875
Hydrophobic surface: 521.962	Hydrophilic surface: 84.647

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.