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MMsINC code: MMs03294705

Type: Neutral
Formula: C₂₁H₁₆N₂O₅

SMILES:

Oc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1C(O)=O

InChI:

InChI=1/C21H16N2O5/c24-18-11-10-14(12-16(18)21(27)28)22-20(26)15-8-4-5-9-17(15)23-19(25)13-6-2-1-3-7-13/h1-12,24H,(H,22,26)(H,23,25)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.443 kcal/mol

Physical Properties
Molecular Weight: 376.368 g/mol	logS: -4.93231	SlogP: 3.595	Reactive groups: 0

Topological Properties
Globularity: 0.0300019	Sterimol/B1: 2.48668	Sterimol/B2: 2.59452	Sterimol/B3: 3.39402
Sterimol/B4: 10.7985	Sterimol/L: 15.6105

Surface and Volume Properties
Accessible surface: 620.19	Positive charged surface: 347.756	Negative charged surface: 272.433	Volume: 340.75
Hydrophobic surface: 434.147	Hydrophilic surface: 186.043

Pharmacophoric Properties
Hydrogen bond donors: 5	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

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Ions/Tautomers related molecules

MMs03294706
PUBCHEM-ZINC05515623