MMsINC Database Search


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MMsINC code: MMs00368844

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

Oc1cc(ccc1O)\C=C/1\C(=O)N(Cc2ccccc2)C(=O)NC\1=O

InChI:

InChI=1/C18H14N2O5/c21-14-7-6-12(9-15(14)22)8-13-16(23)19-18(25)20(17(13)24)10-11-4-2-1-3-5-11/h1-9,21-22H,10H2,(H,19,23,25)/b13-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7818 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -3.74911	SlogP: 2.0262	Reactive groups: 0

Topological Properties
Globularity: 0.0900688	Sterimol/B1: 2.48876	Sterimol/B2: 2.58133	Sterimol/B3: 4.60213
Sterimol/B4: 8.59769	Sterimol/L: 14.0185

Surface and Volume Properties
Accessible surface: 527.796	Positive charged surface: 313.233	Negative charged surface: 214.563	Volume: 300
Hydrophobic surface: 310.657	Hydrophilic surface: 217.139

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.