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MMsINC code: MMs00782595

Type: Tautomer
Formula: C₂₀H₃₂N₂

SMILES:

N(Cc1ccccc1)(C)C1CCN(CC1)C1CC(CCC1)C

InChI:

InChI=1/C20H32N2/c1-17-7-6-10-20(15-17)22-13-11-19(12-14-22)21(2)16-18-8-4-3-5-9-18/h3-5,8-9,17,19-20H,6-7,10-16H2,1-2H3/t17-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4932 kcal/mol

Physical Properties
Molecular Weight: 300.49 g/mol	logS: -3.69296	SlogP: 4.4279	Reactive groups: 0

Topological Properties
Globularity: 0.0600651	Sterimol/B1: 2.43367	Sterimol/B2: 3.97442	Sterimol/B3: 4.48034
Sterimol/B4: 4.93609	Sterimol/L: 18.0618

Surface and Volume Properties
Accessible surface: 574.018	Positive charged surface: 437.967	Negative charged surface: 136.051	Volume: 335.875
Hydrophobic surface: 548.205	Hydrophilic surface: 25.813

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

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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Parent related molecule:

MMs00782594
CHEMBRIDGE-ZINC04745606