MMsINC Database Search


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MMsINC code: MMs02202695

Type: Neutral
Formula: C₂₀H₃₃N

SMILES:

n1cc(ccc1C1CCC(CC1)CCCCCC)CCC

InChI:

InChI=1/C20H33N/c1-3-5-6-7-9-17-10-13-19(14-11-17)20-15-12-18(8-4-2)16-21-20/h12,15-17,19H,3-11,13-14H2,1-2H3/t17-,19-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.3908 kcal/mol

Physical Properties
Molecular Weight: 287.491 g/mol	logS: -6.56952	SlogP: 6.27827	Reactive groups: 0

Topological Properties
Globularity: 0.0291134	Sterimol/B1: 2.12754	Sterimol/B2: 3.11704	Sterimol/B3: 3.34047
Sterimol/B4: 5.67537	Sterimol/L: 21.9924

Surface and Volume Properties
Accessible surface: 630.033	Positive charged surface: 495.541	Negative charged surface: 134.492	Volume: 338.5
Hydrophobic surface: 573.736	Hydrophilic surface: 56.297

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.