MMsINC Database Search


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

MMsINC code: MMs00094206

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(Nc1nccc(c1)C)c1cc(C)c(cc1)C

InChI:

InChI=1/C15H16N2O/c1-10-6-7-16-14(8-10)17-15(18)13-5-4-11(2)12(3)9-13/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)=63.18 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -3.82975	SlogP: 3.25916	Reactive groups: 0

Topological Properties
Globularity: 0.00845617	Sterimol/B1: 2.29956	Sterimol/B2: 2.52821	Sterimol/B3: 2.9832
Sterimol/B4: 5.74496	Sterimol/L: 15.7663

Surface and Volume Properties
Accessible surface: 488.616	Positive charged surface: 307.725	Negative charged surface: 180.891	Volume: 247.25
Hydrophobic surface: 434.847	Hydrophilic surface: 53.769

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.