MMsINC Database Search


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MMsINC code: MMs03452507

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

n1c2c(CCCCC2)c(N2CCCCC2)c2c1cccc2

InChI:

InChI=1/C19H24N2/c1-3-9-15-17(11-4-1)20-18-12-6-5-10-16(18)19(15)21-13-7-2-8-14-21/h5-6,10,12H,1-4,7-9,11,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.401 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.25901	SlogP: 4.49394	Reactive groups: 0

Topological Properties
Globularity: 0.122578	Sterimol/B1: 3.52818	Sterimol/B2: 3.59031	Sterimol/B3: 3.6902
Sterimol/B4: 7.64107	Sterimol/L: 12.3941

Surface and Volume Properties
Accessible surface: 508.924	Positive charged surface: 370.025	Negative charged surface: 136.138	Volume: 293
Hydrophobic surface: 481.923	Hydrophilic surface: 27.001

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.