MMsINC Database Search


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MMsINC code: MMs02389538

Type: Neutral
Formula: C₂₄H₂₈N₂

SMILES:

N(C)(C)c1ccc(cc1)C(c1cc(ccc1)C)c1ccc(N(C)C)cc1

InChI:

InChI=1/C24H28N2/c1-18-7-6-8-21(17-18)24(19-9-13-22(14-10-19)25(2)3)20-11-15-23(16-12-20)26(4)5/h6-17,24H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.768 kcal/mol

Physical Properties
Molecular Weight: 344.502 g/mol	logS: -5.47246	SlogP: 5.30722	Reactive groups: 0

Topological Properties
Globularity: 0.149271	Sterimol/B1: 2.69919	Sterimol/B2: 3.45402	Sterimol/B3: 4.78533
Sterimol/B4: 10.1934	Sterimol/L: 15.7685

Surface and Volume Properties
Accessible surface: 658.862	Positive charged surface: 492.591	Negative charged surface: 166.271	Volume: 378.25
Hydrophobic surface: 658.862	Hydrophilic surface: 0

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: 1

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Ions/Tautomers related molecules: no related molecules available.