MMsINC Database Search


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MMsINC code: MMs00598827

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)Cn1cc(c2c1cccc2)C=O)C

InChI:

InChI=1/C19H16N2O4/c1-25-19(24)15-7-2-4-8-16(15)20-18(23)11-21-10-13(12-22)14-6-3-5-9-17(14)21/h2-10,12H,11H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6668 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -3.95306	SlogP: 3.1455	Reactive groups: 1

Topological Properties
Globularity: 0.106337	Sterimol/B1: 2.2055	Sterimol/B2: 3.37097	Sterimol/B3: 4.57804
Sterimol/B4: 8.06758	Sterimol/L: 15.6523

Surface and Volume Properties
Accessible surface: 588.347	Positive charged surface: 363.525	Negative charged surface: 219.679	Volume: 313.125
Hydrophobic surface: 456.045	Hydrophilic surface: 132.302

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.