MMsINC Database Search


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

MMsINC code: MMs00264733

Type: Neutral
Formula: C₂₉H₂₇N₃

SMILES:

n1(c2c(cc(cc2)C2N(CCN2c2ccccc2)c2ccccc2)c2c1cccc2)CC

InChI:

InChI=1/C29H27N3/c1-2-30-27-16-10-9-15-25(27)26-21-22(17-18-28(26)30)29-31(23-11-5-3-6-12-23)19-20-32(29)24-13-7-4-8-14-24/h3-18,21,29H,2,19-20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=243.689 kcal/mol

Physical Properties
Molecular Weight: 417.556 g/mol	logS: -7.18931	SlogP: 7.2017	Reactive groups: 0

Topological Properties
Globularity: 0.233123	Sterimol/B1: 2.26529	Sterimol/B2: 5.36002	Sterimol/B3: 7.03823
Sterimol/B4: 8.24845	Sterimol/L: 16.0427

Surface and Volume Properties
Accessible surface: 675.232	Positive charged surface: 413.956	Negative charged surface: 255.197	Volume: 425
Hydrophobic surface: 633.654	Hydrophilic surface: 41.578

Pharmacophoric Properties
Hydrogen bond donors: 0	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.