3-[7,13,18-tris(2-carboxyethyl)-3,8,12,17-tetrakis(carboxymethyl)-15-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoic acid

Formula:C40H38N4O17 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[7,13,18-tris(2-carboxyethyl)-3,8,12,17-tetrakis(carboxymethyl)-15-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoic acid is not a drug-like molecule.

MolName	3-[7,13,18-tris(2-carboxyethyl)-3,8,12,17-tetrakis(carboxymethyl)-15-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoic acid
MolecularFormula	C40H38N4O17
Smiles	OC(CCc1c(/C=C(/C(CC(O)=O)=C2CCC(O)=O)\N/C2=C\c2c(CCC(O)=O)c(CC(O)=O)c(C(C(C(CCC(O)=O)=C3CC(O)=O)=N/C3=C3)=O)[nH]2)[nH]c3c1CC(O)=O)=O
InChI	InChI=1S/C40H38N4O17/c45-30(46)5-1-16-20(9-34(53)54)27-14-25-17(2-6-31(47)48)21(10-35(55)56)28(42-25)15-29-22(11-36(57)58)19(4-8-33(51)52)38(44-29)40(61)39-23(12-37(59)60)18(3-7-32(49)50)26(43-39)13-24(16)41-27/h13-15,41-43H,1-12H2,(H,45,46)(H,47,48)(H,49
InChIK	QIZQSUINJLEQAD-UHFFFAOYSA-N
TotalMolweight	846.753
Molweight	846.753
MonoisotopicMass	846.223201
CLogP	-2.3634
CLogS	-4.907
H Acceptors	21
H Donors	11
TotalSurfaceArea	601.73
Relative PSA	0.45387
PolarSurfaceArea	371.44
Druglikeness	1.5767
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.27869
Fragments	1
Non HAtoms	61
NonCHAtoms	21
Electronegative Atoms	21
Rotatable Bond	20
Rings Closures	5
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	21
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	8
StereoCon

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1 - 3-[7,13,18-tris(2-carboxyethyl)-3,8,12,17-tetrakis(carboxymethyl)-15-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoic acid | 2 - 3-[7,13,18-tris(2-carboxyethyl)-3,8,12,17-tetrakis(carboxymethyl)-15-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoic acid

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