MMsINC Database Search


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MMsINC code: MMs03251068

Type: Neutral
Formula: C₃₀H₂₆N₂+2

SMILES:

[n+]1(Cc2ccccc2)c(cc(cc1-c1ccccc1)-c1cc[n+](cc1)C)-c1ccccc1

InChI:

InChI=1/C30H26N2/c1-31-19-17-25(18-20-31)28-21-29(26-13-7-3-8-14-26)32(23-24-11-5-2-6-12-24)30(22-28)27-15-9-4-10-16-27/h2-22H,23H2,1H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=205.364 kcal/mol

Physical Properties
Molecular Weight: 414.552 g/mol	logS: -7.59248	SlogP: 6.4735	Reactive groups: 0

Topological Properties
Globularity: 0.148486	Sterimol/B1: 4.76677	Sterimol/B2: 4.76997	Sterimol/B3: 6.78547
Sterimol/B4: 7.60422	Sterimol/L: 15.8588

Surface and Volume Properties
Accessible surface: 696.795	Positive charged surface: 438.571	Negative charged surface: 242.981	Volume: 430
Hydrophobic surface: 627.155	Hydrophilic surface: 69.64

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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

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Ions/Tautomers related molecules: no related molecules available.