MMsINC Database Search


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MMsINC code: MMs00759802

Type: Tautomer
Formula: C₂₄H₃₄N₂

SMILES:

N(Cc1ccccc1)(CCCC)C1CCN(CC1)CCc1ccccc1

InChI:

InChI=1/C24H34N2/c1-2-3-17-26(21-23-12-8-5-9-13-23)24-15-19-25(20-16-24)18-14-22-10-6-4-7-11-22/h4-13,24H,2-3,14-21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7238 kcal/mol

Physical Properties
Molecular Weight: 350.55 g/mol	logS: -4.58017	SlogP: 5.26217	Reactive groups: 0

Topological Properties
Globularity: 0.0647178	Sterimol/B1: 2.14091	Sterimol/B2: 3.05606	Sterimol/B3: 4.34447
Sterimol/B4: 9.67378	Sterimol/L: 19.5511

Surface and Volume Properties
Accessible surface: 697.685	Positive charged surface: 481.321	Negative charged surface: 216.363	Volume: 392.5
Hydrophobic surface: 668.81	Hydrophilic surface: 28.875

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Parent related molecule:

MMs00759801
CHEMBRIDGE-ZINC04022119