4-chloro-N-[(2S)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

Formula:C27H23N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(2S)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[(2S)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
MolecularFormula	C27H23N4O4Cl
Smiles	O=C([C@H](Cc1c[nH]c2c1cccc2)NC(c(cc1)ccc1Cl)=O)N/N=C\c(cc1)cc2c1OCCO2
InChI	InChI=1S/C27H23ClN4O4/c28-20-8-6-18(7-9-20)26(33)31-23(14-19-16-29-22-4-2-1-3-21(19)22)27(34)32-30-15-17-5-10-24-25(13-17)36-12-11-35-24/h1-10,13,15-16,23,29H,11-12,14H2,(H,31,33)(H,32,34)/t23-/m0/s1
InChIK	NYGVILJLFKKKDE-QHCPKHFHSA-N
TotalMolweight	502.957
Molweight	502.957
MonoisotopicMass	502.140783
CLogP	4.7107
CLogS	-6.444
H Acceptors	8
H Donors	3
TotalSurfaceArea	375.83
Relative PSA	0.25144
PolarSurfaceArea	104.81
Druglikeness	0.13474
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - 4-chloro-N-[(2S)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide | 2 - 4-chloro-N-[(2S)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

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