MMsINC Database Search


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

MMsINC code: MMs02282508

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O(C)c1cc2[nH]c3CCN(Cc3c2cc1)Cc1ccccc1

InChI:

InChI=1/C19H20N2O/c1-22-15-7-8-16-17-13-21(12-14-5-3-2-4-6-14)10-9-18(17)20-19(16)11-15/h2-8,11,20H,9-10,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.78 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.7013	SlogP: 4.26757	Reactive groups: 0

Topological Properties
Globularity: 0.0496367	Sterimol/B1: 3.05205	Sterimol/B2: 3.67528	Sterimol/B3: 3.69223
Sterimol/B4: 5.15376	Sterimol/L: 18.4165

Surface and Volume Properties
Accessible surface: 557.03	Positive charged surface: 385.992	Negative charged surface: 165.502	Volume: 299.625
Hydrophobic surface: 505.388	Hydrophilic surface: 51.642

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

MMs02282509
NCID-ZINC01640509