MMsINC Database Search


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MMsINC code: MMs00352708

Type: Neutral
Formula: C₁₇H₁₄N₂O₄

SMILES:

O(C)c1ccccc1C(O\N=C/1\c2c(N(C)C\1=O)cccc2)=O

InChI:

InChI=1/C17H14N2O4/c1-19-13-9-5-3-7-11(13)15(16(19)20)18-23-17(21)12-8-4-6-10-14(12)22-2/h3-10H,1-2H3/b18-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.459 kcal/mol

Physical Properties
Molecular Weight: 310.309 g/mol	logS: -4.27634	SlogP: 2.2327	Reactive groups: 0

Topological Properties
Globularity: 0.00502913	Sterimol/B1: 2.38303	Sterimol/B2: 2.51285	Sterimol/B3: 3.16208
Sterimol/B4: 6.94055	Sterimol/L: 15.2836

Surface and Volume Properties
Accessible surface: 545.537	Positive charged surface: 340.866	Negative charged surface: 204.672	Volume: 286.625
Hydrophobic surface: 436.35	Hydrophilic surface: 109.187

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.