5-[[3-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid

Formula:C28H22N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[3-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.

MolName	5-[[3-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid
MolecularFormula	C28H22N4O4
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c1cn(Cc2ccc(C(O)=O)o2)c2c1cccc2
InChI	InChI=1S/C28H22N4O4/c29-14-19(27(33)30-12-11-18-15-31-24-7-3-1-5-22(18)24)13-20-16-32(25-8-4-2-6-23(20)25)17-21-9-10-26(36-21)28(34)35/h1-10,13,15-16,31H,11-12,17H2,(H,30,33)(H,34,35)
InChIK	RYXKUNKGZHTSFB-UHFFFAOYSA-N
TotalMolweight	478.507
Molweight	478.507
MonoisotopicMass	478.164106
CLogP	3.4247
CLogS	-4.92
H Acceptors	8
H Donors	3
TotalSurfaceArea	371.45
Relative PSA	0.26698
PolarSurfaceArea	124.05
Druglikeness	0.41692
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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