MMsINC Database Search


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MMsINC code: MMs01695316

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)C(N1C(=O)c2c(cccc2)C1=O)C

InChI:

InChI=1/C19H18N2O4/c1-12(17(22)20-11-13-7-3-6-10-16(13)25-2)21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5177 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.25279	SlogP: 2.2625	Reactive groups: 0

Topological Properties
Globularity: 0.0596654	Sterimol/B1: 2.36055	Sterimol/B2: 4.17246	Sterimol/B3: 5.14508
Sterimol/B4: 5.48974	Sterimol/L: 18.0904

Surface and Volume Properties
Accessible surface: 595.741	Positive charged surface: 367.408	Negative charged surface: 228.333	Volume: 318.25
Hydrophobic surface: 471.708	Hydrophilic surface: 124.033

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.