MMsINC Database Search


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MMsINC code: MMs00824363

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

Oc1ccccc1/C(=N\N=C\c1ccccc1O)/C

InChI:

InChI=1/C15H14N2O2/c1-11(13-7-3-5-9-15(13)19)17-16-10-12-6-2-4-8-14(12)18/h2-10,18-19H,1H3/b16-10+,17-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9925 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.07516	SlogP: 2.9409	Reactive groups: 0

Topological Properties
Globularity: 0.00593358	Sterimol/B1: 2.05551	Sterimol/B2: 2.17686	Sterimol/B3: 2.5103
Sterimol/B4: 6.10248	Sterimol/L: 16.3367

Surface and Volume Properties
Accessible surface: 484.666	Positive charged surface: 295.794	Negative charged surface: 188.872	Volume: 250.875
Hydrophobic surface: 390.926	Hydrophilic surface: 93.74

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.