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MMsINC code: MMs01915707

Type: Tautomer
Formula: C₂₄H₁₇NO₅

SMILES:

O=C1C(C(=O)c2ccccc2)C(N(C1=O)c1cc(ccc1)C(O)=O)c1ccccc1

InChI:

InChI=1/C24H17NO5/c26-21(16-10-5-2-6-11-16)19-20(15-8-3-1-4-9-15)25(23(28)22(19)27)18-13-7-12-17(14-18)24(29)30/h1-14,19-20H,(H,29,30)/t19-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.744 kcal/mol

Physical Properties
Molecular Weight: 399.402 g/mol	logS: -5.5542	SlogP: 3.6364	Reactive groups: 0

Topological Properties
Globularity: 0.121215	Sterimol/B1: 2.36374	Sterimol/B2: 3.12198	Sterimol/B3: 5.57602
Sterimol/B4: 8.53978	Sterimol/L: 17.4136

Surface and Volume Properties
Accessible surface: 599.222	Positive charged surface: 322.129	Negative charged surface: 277.092	Volume: 361.75
Hydrophobic surface: 407.67	Hydrophilic surface: 191.552

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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:

Parent related molecule:

MMs01915705
IBS-ZINC05027059