MMsINC Database Search


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MMsINC code: MMs00782664

Type: Neutral
Formula: C₂₀H₂₆N₂

SMILES:

N1(CCCC1)C1CCN(CC1)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C20H26N2/c1-2-9-20-17(6-1)7-5-8-18(20)16-21-14-10-19(11-15-21)22-12-3-4-13-22/h1-2,5-9,19H,3-4,10-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.027 kcal/mol

Physical Properties
Molecular Weight: 294.442 g/mol	logS: -4.13686	SlogP: 4.1664	Reactive groups: 0

Topological Properties
Globularity: 0.122485	Sterimol/B1: 2.79031	Sterimol/B2: 2.82719	Sterimol/B3: 5.36378
Sterimol/B4: 7.18392	Sterimol/L: 15.5484

Surface and Volume Properties
Accessible surface: 548.825	Positive charged surface: 404.717	Negative charged surface: 136.71	Volume: 317.875
Hydrophobic surface: 539.593	Hydrophilic surface: 9.2320000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs00782665
CHEMBRIDGE-ZINC04745775