MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02406338

Type: Neutral
Formula: C₁₄H₁₃NO₂

SMILES:

O(c1ccc(cc1)/C(=N\O)/C)c1ccccc1

InChI:

InChI=1/C14H13NO2/c1-11(15-16)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,16H,1H3/b15-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2832 kcal/mol

Physical Properties
Molecular Weight: 227.263 g/mol	logS: -3.29508	SlogP: 3.6771	Reactive groups: 0

Topological Properties
Globularity: 0.0701638	Sterimol/B1: 2.2723	Sterimol/B2: 2.82487	Sterimol/B3: 3.80537
Sterimol/B4: 5.61095	Sterimol/L: 15.045

Surface and Volume Properties
Accessible surface: 458.578	Positive charged surface: 262.285	Negative charged surface: 196.293	Volume: 226.125
Hydrophobic surface: 383.049	Hydrophilic surface: 75.529

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.