1-[(Z)-[(3Z)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]methylideneamino]-3-phenylthiourea

Formula:C25H28N4S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[(3Z)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]methylideneamino]-3-phenylthiourea is not a drug-like molecule.

MolName	1-[(Z)-[(3Z)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]methylideneamino]-3-phenylthiourea
MolecularFormula	C25H28N4S
Smiles	S=C(Nc1ccccc1)N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCCCC1
InChI	InChI=1S/C25H28N4S/c30-25(27-23-12-6-2-7-13-23)28-26-19-22-15-14-21(18-20-10-4-1-5-11-20)24(22)29-16-8-3-9-17-29/h1-2,4-7,10-13,18-19H,3,8-9,14-17H2,(H2,27,28,30)
InChIK	WFBIXHFBKGMMCR-UHFFFAOYSA-N
TotalMolweight	416.591
Molweight	416.591
MonoisotopicMass	416.203466
CLogP	5.3357
CLogS	-5.776
H Acceptors	4
H Donors	2
TotalSurfaceArea	340.66
Relative PSA	0.19368
PolarSurfaceArea	71.75
Druglikeness	3.539
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
StereoCon

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