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MMsINC code: MMs02807735

Type: Neutral
Formula: C₂₃H₃₄N₄

SMILES:

n12c(-c3n(cc(CN4CCCCC4)c3C)CC1)ccc2CN1CCCCC1

InChI:

InChI=1/C23H34N4/c1-19-20(16-24-10-4-2-5-11-24)17-26-14-15-27-21(8-9-22(27)23(19)26)18-25-12-6-3-7-13-25/h8-9,17H,2-7,10-16,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5953 kcal/mol

Physical Properties
Molecular Weight: 366.553 g/mol	logS: -2.13675	SlogP: 5.31602	Reactive groups: 0

Topological Properties
Globularity: 0.0645126	Sterimol/B1: 2.66892	Sterimol/B2: 2.76753	Sterimol/B3: 5.02786
Sterimol/B4: 6.42523	Sterimol/L: 19.3629

Surface and Volume Properties
Accessible surface: 660.575	Positive charged surface: 524.587	Negative charged surface: 135.988	Volume: 391.75
Hydrophobic surface: 631.957	Hydrophilic surface: 28.618

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

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Ions/Tautomers related molecules

MMs02807736
PUBCHEM-ZINC01456681