1,3-bis[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazoline-2,4-dione

Formula:C40H50N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,3-bis[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazoline-2,4-dione is not a drug-like molecule.

MolName	1,3-bis[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazoline-2,4-dione
MolecularFormula	C40H50N6O4
Smiles	OC(CN1CCN(C/C=C/c2ccccc2)CC1)CN(c(cccc1)c1C(N1CC(CN2CCN(C/C=C/c3ccccc3)CC2)O)=O)C1=O
InChI	InChI=1S/C40H50N6O4/c47-35(29-43-25-21-41(22-26-43)19-9-15-33-11-3-1-4-12-33)31-45-38-18-8-7-17-37(38)39(49)46(40(45)50)32-36(48)30-44-27-23-42(24-28-44)20-10-16-34-13-5-2-6-14-34/h1-18,35-36,47-48H,19-32H2
InChIK	CJBSIEZOFZAYHQ-UHFFFAOYSA-N
TotalMolweight	678.875
Molweight	678.875
MonoisotopicMass	678.389354
CLogP	3.9034
CLogS	-3.523
H Acceptors	10
H Donors	2
TotalSurfaceArea	532.92
Relative PSA	0.13807
PolarSurfaceArea	94.04
Druglikeness	8.082
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62
Fragments	1
Non HAtoms	50
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	2
Rotatable Bond	14
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	22
Symmetricatoms	8
Amides	2
Amines	4
AlkylAmines	4
BasicNitrogens	4
StereoCon	unknown chirality

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1 - 1,3-bis[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazoline-2,4-dione | 2 - 1,3-bis[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazoline-2,4-dione

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