MMsINC Database Search


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

MMsINC code: MMs03510092

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O(C)c1cc(NC2CCN(CC2)Cc2ccccc2)ccc1

InChI:

InChI=1/C19H24N2O/c1-22-19-9-5-8-18(14-19)20-17-10-12-21(13-11-17)15-16-6-3-2-4-7-16/h2-9,14,17,20H,10-13,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5129 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.44989	SlogP: 4.0381	Reactive groups: 0

Topological Properties
Globularity: 0.0663826	Sterimol/B1: 3.07624	Sterimol/B2: 3.93546	Sterimol/B3: 4.52524
Sterimol/B4: 5.62607	Sterimol/L: 17.9058

Surface and Volume Properties
Accessible surface: 579.325	Positive charged surface: 413.131	Negative charged surface: 166.194	Volume: 312.25
Hydrophobic surface: 547.74	Hydrophilic surface: 31.585

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

MMs03510093
PUBCHEM-ZINC06043642