MMsINC Database Search


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MMsINC code: MMs00110178

Type: Neutral
Formula: C₁₇H₁₄N₂O₄

SMILES:

O(C)c1cc(NC(=O)C=2C(=O)Nc3c(cccc3)C=2O)ccc1

InChI:

InChI=1/C17H14N2O4/c1-23-11-6-4-5-10(9-11)18-16(21)14-15(20)12-7-2-3-8-13(12)19-17(14)22/h2-9H,1H3,(H,18,21)(H2,19,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1553 kcal/mol

Physical Properties
Molecular Weight: 310.309 g/mol	logS: -3.94567	SlogP: 2.5551	Reactive groups: 0

Topological Properties
Globularity: 0.0135123	Sterimol/B1: 2.37144	Sterimol/B2: 2.87223	Sterimol/B3: 3.04921
Sterimol/B4: 6.31546	Sterimol/L: 17.3646

Surface and Volume Properties
Accessible surface: 537.489	Positive charged surface: 324.682	Negative charged surface: 212.807	Volume: 279.875
Hydrophobic surface: 397.38	Hydrophilic surface: 140.109

Pharmacophoric Properties
Hydrogen bond donors: 3	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.