MMsINC Database Search


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MMsINC code: MMs00067863

Type: Neutral
Formula: C₁₄H₁₄N₂O₃

SMILES:

O(C)c1ccc(OC)cc1NC(=O)c1cccnc1

InChI:

InChI=1/C14H14N2O3/c1-18-11-5-6-13(19-2)12(8-11)16-14(17)10-4-3-7-15-9-10/h3-9H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7915 kcal/mol

Physical Properties
Molecular Weight: 258.277 g/mol	logS: -2.19749	SlogP: 2.3511	Reactive groups: 0

Topological Properties
Globularity: 0.0176049	Sterimol/B1: 2.39692	Sterimol/B2: 2.5403	Sterimol/B3: 2.8111
Sterimol/B4: 8.74612	Sterimol/L: 14.6662

Surface and Volume Properties
Accessible surface: 495.492	Positive charged surface: 369.447	Negative charged surface: 126.045	Volume: 245.875
Hydrophobic surface: 428.064	Hydrophilic surface: 67.428

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.