MMsINC Database Search


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MMsINC code: MMs03293105

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(C)c1cc(O)c(cc1)\C(=N/N)\c1ccccc1

InChI:

InChI=1/C14H14N2O2/c1-18-11-7-8-12(13(17)9-11)14(16-15)10-5-3-2-4-6-10/h2-9,17H,15H2,1H3/b16-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.185 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.32681	SlogP: 2.1119	Reactive groups: 0

Topological Properties
Globularity: 0.0453706	Sterimol/B1: 2.70201	Sterimol/B2: 3.23109	Sterimol/B3: 3.26924
Sterimol/B4: 6.24473	Sterimol/L: 13.8085

Surface and Volume Properties
Accessible surface: 462.663	Positive charged surface: 307.351	Negative charged surface: 155.312	Volume: 237
Hydrophobic surface: 345.726	Hydrophilic surface: 116.937

Pharmacophoric Properties
Hydrogen bond donors: 2	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.