MMsINC Database Search


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MMsINC code: MMs01391602

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(CCN1C(=O)C(NC1=O)(C)c1ccccc1)c1ccc(OC)cc1

InChI:

InChI=1/C19H20N2O4/c1-19(14-6-4-3-5-7-14)17(22)21(18(23)20-19)12-13-25-16-10-8-15(24-2)9-11-16/h3-11H,12-13H2,1-2H3,(H,20,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3888 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.0247	SlogP: 2.8527	Reactive groups: 0

Topological Properties
Globularity: 0.135296	Sterimol/B1: 3.71003	Sterimol/B2: 4.29364	Sterimol/B3: 4.41924
Sterimol/B4: 7.17155	Sterimol/L: 15.8239

Surface and Volume Properties
Accessible surface: 597.469	Positive charged surface: 386.106	Negative charged surface: 211.363	Volume: 322.125
Hydrophobic surface: 494.923	Hydrophilic surface: 102.546

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.