MMsINC Database Search


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MMsINC code: MMs00738935

Type: Neutral
Formula: C₂₄H₃₆N₂

SMILES:

N(CCC)(CCC)c1ccc(cc1)-c1ccc(N(CCC)CCC)cc1

InChI:

InChI=1/C24H36N2/c1-5-17-25(18-6-2)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26(19-7-3)20-8-4/h9-16H,5-8,17-20H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2666 kcal/mol

Physical Properties
Molecular Weight: 352.566 g/mol	logS: -5.782	SlogP: 6.6064	Reactive groups: 0

Topological Properties
Globularity: 0.0224261	Sterimol/B1: 2.17227	Sterimol/B2: 2.76537	Sterimol/B3: 3.07762
Sterimol/B4: 8.88738	Sterimol/L: 18.1974

Surface and Volume Properties
Accessible surface: 714.39	Positive charged surface: 483.828	Negative charged surface: 219.941	Volume: 408.625
Hydrophobic surface: 598.657	Hydrophilic surface: 115.733

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

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Ions/Tautomers related molecules: no related molecules available.