MMsINC Database Search


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

MMsINC code: MMs00068498

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O(C)c1cccc(OC)c1C(=O)Nc1nccc(c1)C

InChI:

InChI=1/C15H16N2O3/c1-10-7-8-16-13(9-10)17-15(18)14-11(19-2)5-4-6-12(14)20-3/h4-9H,1-3H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3365 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -2.98267	SlogP: 2.65952	Reactive groups: 0

Topological Properties
Globularity: 0.0952483	Sterimol/B1: 2.40937	Sterimol/B2: 5.81173	Sterimol/B3: 5.91853
Sterimol/B4: 5.93885	Sterimol/L: 14.7004

Surface and Volume Properties
Accessible surface: 525.861	Positive charged surface: 386.144	Negative charged surface: 139.717	Volume: 263
Hydrophobic surface: 463.95	Hydrophilic surface: 61.911

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.