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MMsINC code: MMs03884636

Type: Neutral
Formula: C₂₃H₃₀N₂

SMILES:

n1(c2c(cc(cc2)CNC2CCCCCCC2)c2c1cccc2)CC

InChI:

InChI=1/C23H30N2/c1-2-25-22-13-9-8-12-20(22)21-16-18(14-15-23(21)25)17-24-19-10-6-4-3-5-7-11-19/h8-9,12-16,19,24H,2-7,10-11,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.737 kcal/mol

Physical Properties
Molecular Weight: 334.507 g/mol	logS: -5.98476	SlogP: 6.5497	Reactive groups: 0

Topological Properties
Globularity: 0.0456669	Sterimol/B1: 2.32489	Sterimol/B2: 2.32892	Sterimol/B3: 4.64807
Sterimol/B4: 8.20586	Sterimol/L: 17.2017

Surface and Volume Properties
Accessible surface: 629.102	Positive charged surface: 419	Negative charged surface: 198.45	Volume: 362.75
Hydrophobic surface: 590.495	Hydrophilic surface: 38.607

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules

MMs03884637
PUBCHEM-ZINC06871173