3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Formula:C30H29N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one is not a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
MolecularFormula	C30H29N4O3Cl
Smiles	O=C(CC(c1cnc(cc2)n1cc2Cl)c(cc1)cc2c1OCO2)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C30H29ClN4O3/c31-24-9-11-29-32-19-26(35(29)20-24)25(23-8-10-27-28(17-23)38-21-37-27)18-30(36)34-15-13-33(14-16-34)12-4-7-22-5-2-1-3-6-22/h1-11,17,19-20,25H,12-16,18,21H2/t25-/m1/s1
InChIK	MEOCHANEDLQEDC-RUZDIDTESA-N
TotalMolweight	529.038
Molweight	529.038
MonoisotopicMass	528.192818
CLogP	5.3166
CLogS	-6.804
H Acceptors	7
TotalSurfaceArea	398.88
Relative PSA	0.14806
PolarSurfaceArea	59.31
Druglikeness	9.0053
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon	racemate

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1 - 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one | 2 - 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

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