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MMsINC code: MMs03028411

Type: Neutral
Formula: C₂₀H₂₆N₂

SMILES:

N1(CCN(CC1)C(Cc1ccccc1)C)Cc1ccccc1

InChI:

InChI=1/C20H26N2/c1-18(16-19-8-4-2-5-9-19)22-14-12-21(13-15-22)17-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6392 kcal/mol

Physical Properties
Molecular Weight: 294.442 g/mol	logS: -3.45964	SlogP: 3.70177	Reactive groups: 0

Topological Properties
Globularity: 0.0649269	Sterimol/B1: 2.56002	Sterimol/B2: 3.42327	Sterimol/B3: 3.83483
Sterimol/B4: 6.39415	Sterimol/L: 17.1317

Surface and Volume Properties
Accessible surface: 577.474	Positive charged surface: 389.064	Negative charged surface: 188.41	Volume: 324.5
Hydrophobic surface: 553.294	Hydrophilic surface: 24.18

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03028412
PUBCHEM-ZINC03632961