(2S)-3-phenyl-2-[2-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethylamino]propanoic acid

Formula:C55H43N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-3-phenyl-2-[2-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethylamino]propanoic acid is not a drug-like molecule.

MolName	(2S)-3-phenyl-2-[2-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethylamino]propanoic acid
MolecularFormula	C55H43N5O3
Smiles	OC([C@H](Cc1ccccc1)NCCOc(cccc1)c1/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/c61-55(62)49(35-36-15-5-1-6-16-36)56-33-34-63-50-24-14-13-23-40(50)54-47-31-29-45(59-47)52(38-19-9-3-10-20-38)43-27-25-41(57-43)51(37-17-7-2-8-18-37)42-26-28-44(58-42)53(39-21-11-4-12-22-39)46-30-32-48(54)60-46/h1-32,49,56-58H,33-35H2,
InChIK	VGYPKQDJYCOSJL-GGCSAXROSA-N
TotalMolweight	821.978
Molweight	821.978
MonoisotopicMass	821.33659
CLogP	4.607
CLogS	-9.756
H Acceptors	8
H Donors	4
TotalSurfaceArea	635.55
Relative PSA	0.15116
PolarSurfaceArea	111.1
Druglikeness	0.85301
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.39683
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	8
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	3
AcidicOxygens	1
StereoCon	this enantiomer

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1 - (2S)-3-phenyl-2-[2-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethylamino]propanoic acid | 2 - (2S)-3-phenyl-2-[2-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethylamino]propanoic acid

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