2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

Formula:C27H19N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is a drug-like molecule.

MolName	2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
MolecularFormula	C27H19N5O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(CC(Nc(cc2)cc3c2OCO3)=O)c2c1cccc2
InChI	InChI=1S/C27H19N5O3/c28-13-17(27-30-21-6-2-3-7-22(21)31-27)11-18-14-32(23-8-4-1-5-20(18)23)15-26(33)29-19-9-10-24-25(12-19)35-16-34-24/h1-12,14H,15-16H2,(H,29,33)(H,30,31)
InChIK	OHNDQVHCJCBSGO-UHFFFAOYSA-N
TotalMolweight	461.48
Molweight	461.48
MonoisotopicMass	461.14879
CLogP	3.7474
CLogS	-5.002
H Acceptors	8
H Donors	2
TotalSurfaceArea	349.16
Relative PSA	0.25745
PolarSurfaceArea	104.96
Druglikeness	-0.70539
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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