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MMsINC code: MMs02384310

Type: Tautomer
Formula: C₂₅H₄₄N₂

SMILES:

N(CCCCCCCCCCN1CCCc2c1cccc2)(CCCC)CC

InChI:

InChI=1/C25H44N2/c1-3-5-20-26(4-2)21-14-10-8-6-7-9-11-15-22-27-23-16-18-24-17-12-13-19-25(24)27/h12-13,17,19H,3-11,14-16,18,20-23H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.564 kcal/mol

Physical Properties
Molecular Weight: 372.641 g/mol	logS: -5.83519	SlogP: 6.68197	Reactive groups: 0

Topological Properties
Globularity: 0.0346493	Sterimol/B1: 2.3504	Sterimol/B2: 4.39833	Sterimol/B3: 5.27694
Sterimol/B4: 7.98748	Sterimol/L: 24.7635

Surface and Volume Properties
Accessible surface: 808.738	Positive charged surface: 635.467	Negative charged surface: 173.271	Volume: 437.625
Hydrophobic surface: 752.441	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: 0

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Parent related molecule:

MMs02384309
NCID-ZINC04366805