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MMsINC code: MMs00465182

Type: Ionized
Formula: C₁₇H₁₄N₂O₅-2

SMILES:

O=C([O-])c1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C17H16N2O5/c20-15(21)12-8-4-5-9-13(12)18-17(24)19-14(16(22)23)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,21)(H,22,23)(H2,18,19,24)/p-2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3103 kcal/mol

Physical Properties
Molecular Weight: 326.308 g/mol	logS: -3.7437	SlogP: -0.46723	Reactive groups: 0

Topological Properties
Globularity: 0.11458	Sterimol/B1: 2.56667	Sterimol/B2: 3.03189	Sterimol/B3: 3.9758
Sterimol/B4: 9.06159	Sterimol/L: 13.1525

Surface and Volume Properties
Accessible surface: 549.648	Positive charged surface: 266.471	Negative charged surface: 283.176	Volume: 294.75
Hydrophobic surface: 358.226	Hydrophilic surface: 191.422

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 4	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:

MMs00465181
AURORAFEINCHEMIE-ZINC04064016