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MMsINC code: MMs02631601

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

O(Cc1ccc(cc1)C(O)=O)c1ccc(cc1)\C=C/1\NC(=O)NC\1=O

InChI:

InChI=1/C18H14N2O5/c21-16-15(19-18(24)20-16)9-11-3-7-14(8-4-11)25-10-12-1-5-13(6-2-12)17(22)23/h1-9H,10H2,(H,22,23)(H2,19,20,21,24)/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6508 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -4.26743	SlogP: 2.4105	Reactive groups: 0

Topological Properties
Globularity: 0.0309717	Sterimol/B1: 2.47781	Sterimol/B2: 2.85668	Sterimol/B3: 4.09192
Sterimol/B4: 5.26356	Sterimol/L: 20.2859

Surface and Volume Properties
Accessible surface: 577.193	Positive charged surface: 331.417	Negative charged surface: 245.776	Volume: 299.5
Hydrophobic surface: 319.227	Hydrophilic surface: 257.966

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02631602
PUBCHEM-ZINC00073257