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MMsINC code: MMs03924613

Type: Ionized
Formula: C₁₆H₁₅N₂O₅-

SMILES:

O(C)c1ccc(OC)cc1NC(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C16H16N2O5/c1-22-10-7-8-14(23-2)13(9-10)18-16(21)17-12-6-4-3-5-11(12)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5469 kcal/mol

Physical Properties
Molecular Weight: 315.305 g/mol	logS: -3.58266	SlogP: 1.7113	Reactive groups: 0

Topological Properties
Globularity: 0.00530057	Sterimol/B1: 2.39168	Sterimol/B2: 2.42505	Sterimol/B3: 2.5664
Sterimol/B4: 8.82101	Sterimol/L: 15.8974

Surface and Volume Properties
Accessible surface: 555.296	Positive charged surface: 358.136	Negative charged surface: 197.161	Volume: 287.875
Hydrophobic surface: 423.675	Hydrophilic surface: 131.621

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 2	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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Parent related molecule:

MMs03924612
SIAL-ZINC04652318