MMsINC Database Search


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

MMsINC code: MMs03241130

Type: Neutral
Formula: C₁₈H₂₀N₂

SMILES:

[nH]1cc(c2c1cccc2)C(C)c1ccc(N(C)C)cc1

InChI:

InChI=1/C18H20N2/c1-13(14-8-10-15(11-9-14)20(2)3)17-12-19-18-7-5-4-6-16(17)18/h4-13,19H,1-3H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9145 kcal/mol

Physical Properties
Molecular Weight: 264.372 g/mol	logS: -3.92034	SlogP: 4.3857	Reactive groups: 0

Topological Properties
Globularity: 0.150566	Sterimol/B1: 2.24462	Sterimol/B2: 3.00381	Sterimol/B3: 5.19205
Sterimol/B4: 6.64689	Sterimol/L: 15.1681

Surface and Volume Properties
Accessible surface: 525.472	Positive charged surface: 358.107	Negative charged surface: 162.606	Volume: 283.875
Hydrophobic surface: 465.093	Hydrophilic surface: 60.379

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.