MMsINC Database Search


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

MMsINC code: MMs03240901

Type: Neutral
Formula: C₁₈H₁₇N

SMILES:

N(C)c1cc2c(cc1Cc1ccccc1)cccc2

InChI:

InChI=1/C18H17N/c1-19-18-13-16-10-6-5-9-15(16)12-17(18)11-14-7-3-2-4-8-14/h2-10,12-13,19H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6606 kcal/mol

Physical Properties
Molecular Weight: 247.341 g/mol	logS: -4.86215	SlogP: 4.47227	Reactive groups: 0

Topological Properties
Globularity: 0.119612	Sterimol/B1: 2.16523	Sterimol/B2: 3.63693	Sterimol/B3: 3.80629
Sterimol/B4: 8.289	Sterimol/L: 13.5181

Surface and Volume Properties
Accessible surface: 494.825	Positive charged surface: 299.675	Negative charged surface: 184.079	Volume: 265.5
Hydrophobic surface: 489.785	Hydrophilic surface: 5.04

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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: no related molecules available.