MMsINC Database Search


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MMsINC code: MMs02706846

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(Cc1ccc(cc1)CC)c1ccc(N2CCCC2)cc1

InChI:

InChI=1/C19H24N2/c1-2-16-5-7-17(8-6-16)15-20-18-9-11-19(12-10-18)21-13-3-4-14-21/h5-12,20H,2-4,13-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.921 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.41817	SlogP: 4.72767	Reactive groups: 0

Topological Properties
Globularity: 0.0370415	Sterimol/B1: 2.8809	Sterimol/B2: 3.37652	Sterimol/B3: 4.01159
Sterimol/B4: 4.52941	Sterimol/L: 19.4436

Surface and Volume Properties
Accessible surface: 578.422	Positive charged surface: 400.331	Negative charged surface: 178.091	Volume: 306.75
Hydrophobic surface: 519.2	Hydrophilic surface: 59.222

Pharmacophoric Properties
Hydrogen bond donors: 1	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.