MMsINC Database Search


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

MMsINC code: MMs00818669

Type: Neutral
Formula: C₁₉H₂₅NO₃

SMILES:

O(C)c1c(OC)cc(NC(CCc2ccccc2)C)cc1OC

InChI:

InChI=1/C19H25NO3/c1-14(10-11-15-8-6-5-7-9-15)20-16-12-17(21-2)19(23-4)18(13-16)22-3/h5-9,12-14,20H,10-11H2,1-4H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.851 kcal/mol

Physical Properties
Molecular Weight: 315.413 g/mol	logS: -3.69083	SlogP: 4.14557	Reactive groups: 0

Topological Properties
Globularity: 0.0677341	Sterimol/B1: 2.31184	Sterimol/B2: 4.01506	Sterimol/B3: 5.30377
Sterimol/B4: 7.77346	Sterimol/L: 18.0151

Surface and Volume Properties
Accessible surface: 614.298	Positive charged surface: 470.006	Negative charged surface: 144.292	Volume: 328
Hydrophobic surface: 566.766	Hydrophilic surface: 47.532

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.