MMsINC Database Search


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MMsINC code: MMs01964030

Type: Neutral
Formula: C₁₆H₁₄N₂O₃

SMILES:

O(CC)c1cccc(C=2NC(=O)c3c(N=2)cccc3)c1O

InChI:

InChI=1/C16H14N2O3/c1-2-21-13-9-5-7-11(14(13)19)15-17-12-8-4-3-6-10(12)16(20)18-15/h3-9,19H,2H2,1H3,(H,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3859 kcal/mol

Physical Properties
Molecular Weight: 282.299 g/mol	logS: -3.97499	SlogP: 2.6126	Reactive groups: 0

Topological Properties
Globularity: 0.00728259	Sterimol/B1: 2.38131	Sterimol/B2: 2.39859	Sterimol/B3: 2.8591
Sterimol/B4: 6.922	Sterimol/L: 16.3531

Surface and Volume Properties
Accessible surface: 508.964	Positive charged surface: 313.449	Negative charged surface: 195.515	Volume: 263.375
Hydrophobic surface: 374.718	Hydrophilic surface: 134.246

Pharmacophoric Properties
Hydrogen bond donors: 2	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.