MMsINC Database Search


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MMsINC code: MMs01659311

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1c2c(nccc2)ccc1

InChI:

InChI=1/C18H16N2O3/c1-22-16-9-8-12(11-17(16)23-2)18(21)20-15-7-3-6-14-13(15)5-4-10-19-14/h3-11H,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.732 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -4.04417	SlogP: 3.5043	Reactive groups: 0

Topological Properties
Globularity: 0.0267408	Sterimol/B1: 2.39038	Sterimol/B2: 2.5163	Sterimol/B3: 3.48362
Sterimol/B4: 7.43265	Sterimol/L: 15.7444

Surface and Volume Properties
Accessible surface: 554.559	Positive charged surface: 377.604	Negative charged surface: 172.058	Volume: 294
Hydrophobic surface: 483.607	Hydrophilic surface: 70.952

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.