MMsINC Database Search


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MMsINC code: MMs00560378

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

O1N=C(\C(=C\c2ccc(OCC(=O)N)cc2)\C1=O)c1ccccc1

InChI:

InChI=1/C18H14N2O4/c19-16(21)11-23-14-8-6-12(7-9-14)10-15-17(20-24-18(15)22)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21)/b15-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.362 kcal/mol

Physical Properties
Molecular Weight: 322.32 g/mol	logS: -5.38595	SlogP: 1.8952	Reactive groups: 0

Topological Properties
Globularity: 0.027621	Sterimol/B1: 2.42836	Sterimol/B2: 2.87124	Sterimol/B3: 3.8144
Sterimol/B4: 6.06579	Sterimol/L: 18.9442

Surface and Volume Properties
Accessible surface: 557.324	Positive charged surface: 306.409	Negative charged surface: 250.914	Volume: 295.25
Hydrophobic surface: 366.369	Hydrophilic surface: 190.955

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.