MMsINC Database Search


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

MMsINC code: MMs03058630

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O(C)c1ccccc1C(N1CCNCC1)c1ccc(cc1)C

InChI:

InChI=1/C19H24N2O/c1-15-7-9-16(10-8-15)19(21-13-11-20-12-14-21)17-5-3-4-6-18(17)22-2/h3-10,19-20H,11-14H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.278 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.46431	SlogP: 3.09372	Reactive groups: 0

Topological Properties
Globularity: 0.248226	Sterimol/B1: 2.70613	Sterimol/B2: 3.67629	Sterimol/B3: 4.87779
Sterimol/B4: 8.7718	Sterimol/L: 13.2513

Surface and Volume Properties
Accessible surface: 552.986	Positive charged surface: 417.982	Negative charged surface: 135.004	Volume: 313.5
Hydrophobic surface: 520.782	Hydrophilic surface: 32.204

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

MMs03058631
PUBCHEM-ZINC03726574