2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl (2S)-2-amino-3-phenylpropanoate

Formula:C55H43N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl (2S)-2-amino-3-phenylpropanoate is not a drug-like molecule.

MolName	2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl (2S)-2-amino-3-phenylpropanoate
MolecularFormula	C55H43N5O3
Smiles	N[C@@H](Cc1ccccc1)C(OCCOc(cc1)ccc1/C(/C(C=C1)=N/C1=C(\c1ccc2[nH]1)/c1ccccc1)=C(\C=C1)/N=C1/C(/c1ccccc1)=C(/C=C1)\N/C1=C2/c1ccccc1)=O
InChI	InChI=1S/C55H43N5O3/c56-42(35-36-13-5-1-6-14-36)55(61)63-34-33-62-41-23-21-40(22-24-41)54-49-31-29-47(59-49)52(38-17-9-3-10-18-38)45-27-25-43(57-45)51(37-15-7-2-8-16-37)44-26-28-46(58-44)53(39-19-11-4-12-20-39)48-30-32-50(54)60-48/h1-32,42,57-58H,33-35,56
InChIK	LNHRNGSNKIWSBB-WBCKFURZSA-N
TotalMolweight	821.978
Molweight	821.978
MonoisotopicMass	821.33659
CLogP	6.1925
CLogS	-9.968
H Acceptors	8
H Donors	3
TotalSurfaceArea	636.26
Relative PSA	0.15211
PolarSurfaceArea	114.09
Druglikeness	-20.11
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	63
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	12
Rings Closures	10
Small Rings	9
Aromatic Rings	6
Aromatic Atoms	35
Sp3Atoms	7
Symmetricatoms	10
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	3
StereoCon	this enantiomer

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1 - 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl (2S)-2-amino-3-phenylpropanoate | 2 - 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl (2S)-2-amino-3-phenylpropanoate

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