MMsINC Database Search


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MMsINC code: MMs00070651

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

O=C1N(CC(=O)Nc2cc(ccc2)C(OC)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C18H14N2O5/c1-25-18(24)11-5-4-6-12(9-11)19-15(21)10-20-16(22)13-7-2-3-8-14(13)17(20)23/h2-9H,10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0079 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -4.31289	SlogP: 1.7079	Reactive groups: 0

Topological Properties
Globularity: 0.060638	Sterimol/B1: 2.00332	Sterimol/B2: 3.83503	Sterimol/B3: 4.23798
Sterimol/B4: 8.6832	Sterimol/L: 15.9531

Surface and Volume Properties
Accessible surface: 588.543	Positive charged surface: 351.824	Negative charged surface: 236.719	Volume: 304.5
Hydrophobic surface: 425.518	Hydrophilic surface: 163.025

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.