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1-[4-[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propoxy]phenoxy]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol

Formula:C38H50N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[4-[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propoxy]phenoxy]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol is not a drug-like molecule.
MolName1-[4-[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propoxy]phenoxy]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
MolecularFormulaC38H50N4O4
SmilesOC(CN1CCN(C/C=C/c2ccccc2)CC1)COc(cc1)ccc1OCC(CN1CCN(C/C=C/c2ccccc2)CC1)O
InChIInChI=1S/C38H50N4O4/c43-35(29-41-25-21-39(22-26-41)19-7-13-33-9-3-1-4-10-33)31-45-37-15-17-38(18-16-37)46-32-36(44)30-42-27-23-40(24-28-42)20-8-14-34-11-5-2-6-12-34/h1-18,35-36,43-44H,19-32H2
InChIKSEGWBOXPYGSJHJ-UHFFFAOYSA-N
TotalMolweight626.839
Molweight626.839
MonoisotopicMass626.383206
CLogP4.2998
CLogS-3.058
H Acceptors8
H Donors2
TotalSurfaceArea510.32
Relative PSA0.11836
PolarSurfaceArea71.88
Druglikeness7.4945
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.73913
Fragments1
Non HAtoms46
NonCHAtoms8
Electronegative Atoms8
StereoCenters2
Rotatable Bond16
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms24
Symmetricatoms28
Amines4
AlkylAmines4
BasicNitrogens4
StereoConunknown chirality

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