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MMsINC code: MMs03260639

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1cc(O)ccc1/C(=N/Cc1ccccc1)/C

InChI:

InChI=1/C15H15NO2/c1-11(14-8-7-13(17)9-15(14)18)16-10-12-5-3-2-4-6-12/h2-9,17-18H,10H2,1H3/b16-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9469 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -2.83592	SlogP: 3.3734	Reactive groups: 0

Topological Properties
Globularity: 0.208399	Sterimol/B1: 2.41606	Sterimol/B2: 2.75099	Sterimol/B3: 5.22712
Sterimol/B4: 6.9939	Sterimol/L: 13.4683

Surface and Volume Properties
Accessible surface: 468.062	Positive charged surface: 280.515	Negative charged surface: 187.547	Volume: 245.5
Hydrophobic surface: 372.066	Hydrophilic surface: 95.996

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

MMs03260640
PUBCHEM-ZINC05411986