MMsINC Database Search


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MMsINC code: MMs01729800

Type: Neutral
Formula: C₁₈H₁₅NO₄

SMILES:

O1N=C(\C(=C\c2cccc(OC)c2OC)\C1=O)c1ccccc1

InChI:

InChI=1/C18H15NO4/c1-21-15-10-6-9-13(17(15)22-2)11-14-16(19-23-18(14)20)12-7-4-3-5-8-12/h3-11H,1-2H3/b14-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.226 kcal/mol

Physical Properties
Molecular Weight: 309.321 g/mol	logS: -5.15777	SlogP: 3.0483	Reactive groups: 0

Topological Properties
Globularity: 0.0838922	Sterimol/B1: 3.28663	Sterimol/B2: 3.51065	Sterimol/B3: 3.87899
Sterimol/B4: 6.1139	Sterimol/L: 15.9139

Surface and Volume Properties
Accessible surface: 537.23	Positive charged surface: 343.498	Negative charged surface: 193.732	Volume: 290.5
Hydrophobic surface: 454.192	Hydrophilic surface: 83.038

Pharmacophoric Properties
Hydrogen bond donors: 0	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.