MMsINC Database Search


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MMsINC code: MMs00017759

Type: Neutral
Formula: C₂₃H₂₆N₂

SMILES:

N(C)(C)c1ccc(cc1)C(c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.894 kcal/mol

Physical Properties
Molecular Weight: 330.475 g/mol	logS: -4.99854	SlogP: 4.9988	Reactive groups: 0

Topological Properties
Globularity: 0.151854	Sterimol/B1: 2.14184	Sterimol/B2: 2.86469	Sterimol/B3: 5.98773
Sterimol/B4: 9.26975	Sterimol/L: 15.8084

Surface and Volume Properties
Accessible surface: 624.989	Positive charged surface: 469.941	Negative charged surface: 155.047	Volume: 360
Hydrophobic surface: 624.989	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.