2-[[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-benzylamino]acetonitrile

Formula:C23H24N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-benzylamino]acetonitrile is a drug-like molecule.

MolName	2-[[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-benzylamino]acetonitrile
MolecularFormula	C23H24N2O3
Smiles	N#CCN(Cc1ccccc1)C(CCC1)C1(/C=C/c(cc1)cc2c1OCO2)O
InChI	InChI=1S/C23H24N2O3/c24-13-14-25(16-19-5-2-1-3-6-19)22-7-4-11-23(22,26)12-10-18-8-9-20-21(15-18)28-17-27-20/h1-3,5-6,8-10,12,15,22,26H,4,7,11,14,16-17H2
InChIK	KGTXNTXLSUGFGP-UHFFFAOYSA-N
TotalMolweight	376.455
Molweight	376.455
MonoisotopicMass	376.178693
CLogP	3.4784
CLogS	-4.843
H Acceptors	5
H Donors	1
TotalSurfaceArea	296.35
Relative PSA	0.16943
PolarSurfaceArea	65.72
Druglikeness	-3.735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 2-[[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-benzylamino]acetonitrile | 2 - 2-[[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-benzylamino]acetonitrile

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