MMsINC Database Search


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MMsINC code: MMs00850534

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

o1nc(cc1-c1cc(OC)ccc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C18H16N2O3/c1-22-15-9-5-8-14(10-15)17-11-16(20-23-17)18(21)19-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7153 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -4.54374	SlogP: 3.5466	Reactive groups: 0

Topological Properties
Globularity: 0.0254412	Sterimol/B1: 2.47053	Sterimol/B2: 3.61676	Sterimol/B3: 3.6186
Sterimol/B4: 6.13466	Sterimol/L: 19.0436

Surface and Volume Properties
Accessible surface: 585.443	Positive charged surface: 346.534	Negative charged surface: 238.909	Volume: 298.875
Hydrophobic surface: 487.261	Hydrophilic surface: 98.182

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.