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MMsINC code: MMs00468416

Type: Ionized
Formula: C₁₈H₁₃N₂O₄-

SMILES:

O=C1N(c2cc(ccc2)C(=O)[O-])C(=O)N2C1Cc1c(C2)cccc1

InChI:

InChI=1/C18H14N2O4/c21-16-15-9-11-4-1-2-5-13(11)10-19(15)18(24)20(16)14-7-3-6-12(8-14)17(22)23/h1-8,15H,9-10H2,(H,22,23)/p-1/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3098 kcal/mol

Physical Properties
Molecular Weight: 321.312 g/mol	logS: -3.93398	SlogP: 1.20997	Reactive groups: 0

Topological Properties
Globularity: 0.0287194	Sterimol/B1: 2.10913	Sterimol/B2: 3.7083	Sterimol/B3: 3.96273
Sterimol/B4: 5.11837	Sterimol/L: 17.1037

Surface and Volume Properties
Accessible surface: 527.79	Positive charged surface: 270.557	Negative charged surface: 257.233	Volume: 286.75
Hydrophobic surface: 368.289	Hydrophilic surface: 159.501

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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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Parent related molecule:

MMs00468415
AURORAFEINCHEMIE-ZINC04089530