(E)-1-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-(furan-2-yl)prop-2-en-1-one

Formula:C25H20NO2F Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C25H20NO2F
Smiles	O=C(/C=C/c1ccco1)c(cc1)cc(C2C=CCC22)c1NC2c(cc1)ccc1F
InChI	InChI=1S/C25H20FNO2/c26-18-9-6-16(7-10-18)25-21-5-1-4-20(21)22-15-17(8-12-23(22)27-25)24(28)13-11-19-3-2-14-29-19/h1-4,6-15,20-21,25,27H,5H2
InChIK	RTGMSFHSMQAQSM-UHFFFAOYSA-N
TotalMolweight	385.437
Molweight	385.437
MonoisotopicMass	385.147807
CLogP	4.8487
CLogS	-6.265
H Acceptors	3
H Donors	1
TotalSurfaceArea	295.29
Relative PSA	0.13075
PolarSurfaceArea	42.24
Druglikeness	-0.99459
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	3
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon	unknown chirality

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1 - (E)-1-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-(furan-2-yl)prop-2-en-1-one | 2 - (E)-1-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-(furan-2-yl)prop-2-en-1-one

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