MMsINC Database Search


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MMsINC code: MMs00871226

Type: Neutral
Formula: C₂₀H₂₆N₂

SMILES:

Nc1ccc(cc1C)C1(CCCCC1)c1cc(C)c(N)cc1

InChI:

InChI=1/C20H26N2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13H,3-5,10-11,21-22H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.822 kcal/mol

Physical Properties
Molecular Weight: 294.442 g/mol	logS: -5.73802	SlogP: 4.71804	Reactive groups: 0

Topological Properties
Globularity: 0.292947	Sterimol/B1: 2.33782	Sterimol/B2: 2.41153	Sterimol/B3: 5.92388
Sterimol/B4: 8.49756	Sterimol/L: 12.7678

Surface and Volume Properties
Accessible surface: 544.888	Positive charged surface: 387.242	Negative charged surface: 157.646	Volume: 315.125
Hydrophobic surface: 441.303	Hydrophilic surface: 103.585

Pharmacophoric Properties
Hydrogen bond donors: 2	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.