MMsINC Database Search


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

MMsINC code: MMs00256435

Type: Neutral
Formula: C₂₈H₂₁N

SMILES:

[nH]1c(c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C28H21N/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,29H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3024 kcal/mol

Physical Properties
Molecular Weight: 371.483 g/mol	logS: -9.47122	SlogP: 7.6827	Reactive groups: 0

Topological Properties
Globularity: 0.11419	Sterimol/B1: 2.3556	Sterimol/B2: 3.41007	Sterimol/B3: 3.48969
Sterimol/B4: 8.97485	Sterimol/L: 15.2874

Surface and Volume Properties
Accessible surface: 648.278	Positive charged surface: 377.805	Negative charged surface: 270.472	Volume: 393.125
Hydrophobic surface: 627.212	Hydrophilic surface: 21.066

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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.