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1-amino-3-[[(3E,10E,13E,16E,19E,22E,25E)-28-[(3-amino-2-hydroxypropyl)amino]octacosa-3,10,13,16,19,22,25-heptaenyl]amino]propan-2-ol

Formula:C34H60N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-amino-3-[[(3E,10E,13E,16E,19E,22E,25E)-28-[(3-amino-2-hydroxypropyl)amino]octacosa-3,10,13,16,19,22,25-heptaenyl]amino]propan-2-ol is not a drug-like molecule.
MolName1-amino-3-[[(3E,10E,13E,16E,19E,22E,25E)-28-[(3-amino-2-hydroxypropyl)amino]octacosa-3,10,13,16,19,22,25-heptaenyl]amino]propan-2-ol
MolecularFormulaC34H60N4O2
SmilesNCC(CNCC/C=C/CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCNCC(CN)O)O
InChIInChI=1S/C34H60N4O2/c35-29-33(39)31-37-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-38-32-34(40)30-36/h1,3-4,6-7,9-10,12,16,18,21-24,33-34,37-40H,2,5,8,11,13-15,17,19-20,25-32,35-36H2
InChIKVIESJYQXPBPNON-UHFFFAOYSA-N
TotalMolweight556.876
Molweight556.876
MonoisotopicMass556.471626
CLogP6.109
CLogS-4.858
H Acceptors6
H Donors6
TotalSurfaceArea524.34
Relative PSA0.15192
PolarSurfaceArea116.56
Druglikeness-7.0131
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.95
Fragments1
Non HAtoms40
NonCHAtoms6
Electronegative Atoms6
StereoCenters2
Rotatable Bond28
Sp3Atoms26
Amines4
AlkylAmines4
BasicNitrogens4
StereoConunknown chirality

Request More Details | 1-amino-3-[[(3E,10E,13E,16E,19E,22E,25E)-28-[(3-amino-2-hydroxypropyl)amino]octacosa-3,10,13,16,19,22,25-heptaenyl]amino]propan-2-ol


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