3-(2-aminoethyl)-7-[3-(2-aminoethyl)-4,5-dihydroxy-1H-indol-7-yl]-1H-indole-4,5-dione

Formula:C20H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-(2-aminoethyl)-7-[3-(2-aminoethyl)-4,5-dihydroxy-1H-indol-7-yl]-1H-indole-4,5-dione is not a drug-like molecule.

MolName	3-(2-aminoethyl)-7-[3-(2-aminoethyl)-4,5-dihydroxy-1H-indol-7-yl]-1H-indole-4,5-dione
MolecularFormula	C20H20N4O4
Smiles	NCCc(c1c(c(O)c2)O)c[nH]c1c2C(c([nH]cc1CCN)c1C1=O)=CC1=O
InChI	InChI=1S/C20H20N4O4/c21-3-1-9-7-23-17-11(5-13(25)19(27)15(9)17)12-6-14(26)20(28)16-10(2-4-22)8-24-18(12)16/h5-8,23-25,27H,1-4,21-22H2
InChIK	ZYVCIMDTILIYIQ-UHFFFAOYSA-N
TotalMolweight	380.403
Molweight	380.403
MonoisotopicMass	380.148456
CLogP	-0.114
CLogS	-3.006
H Acceptors	8
H Donors	6
TotalSurfaceArea	278.25
Relative PSA	0.3982
PolarSurfaceArea	158.22
Druglikeness	-1.6752
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	8
Amines	2
AlkylAmines	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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