MMsINC Database Search


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MMsINC code: MMs02825794

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

n1c2c(CCCC2)c(N2CCC(CC2)C)c2c1cccc2

InChI:

InChI=1/C19H24N2/c1-14-10-12-21(13-11-14)19-15-6-2-4-8-17(15)20-18-9-5-3-7-16(18)19/h2,4,6,8,14H,3,5,7,9-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.102 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.25901	SlogP: 4.34984	Reactive groups: 0

Topological Properties
Globularity: 0.101982	Sterimol/B1: 3.61295	Sterimol/B2: 3.63537	Sterimol/B3: 4.04553
Sterimol/B4: 8.19624	Sterimol/L: 13.3827

Surface and Volume Properties
Accessible surface: 515.306	Positive charged surface: 380.53	Negative charged surface: 132.015	Volume: 297.875
Hydrophobic surface: 471.923	Hydrophilic surface: 43.383

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.