MMsINC Database Search


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MMsINC code: MMs00861122

Type: Neutral
Formula: C₁₇H₁₁NO₅

SMILES:

O=C1N(CC(O)=O)C(=O)c2c1cc(cc2)C(=O)c1ccccc1

InChI:

InChI=1/C17H11NO5/c19-14(20)9-18-16(22)12-7-6-11(8-13(12)17(18)23)15(21)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2983 kcal/mol

Physical Properties
Molecular Weight: 309.277 g/mol	logS: -4.00338	SlogP: 1.5982	Reactive groups: 0

Topological Properties
Globularity: 0.0367325	Sterimol/B1: 2.41567	Sterimol/B2: 3.06214	Sterimol/B3: 3.19843
Sterimol/B4: 7.24647	Sterimol/L: 15.6484

Surface and Volume Properties
Accessible surface: 520.67	Positive charged surface: 265.235	Negative charged surface: 255.435	Volume: 269.625
Hydrophobic surface: 305.953	Hydrophilic surface: 214.717

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

search links for this molecule:

Ions/Tautomers related molecules

MMs00861123
CHEMDIV-ZINC00991223