4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one

Formula:C29H29N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one is a drug-like molecule.

MolName	4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one
MolecularFormula	C29H29N3O3
Smiles	O=C(c1ccc(CN2c(cccc3)c3OCC2=O)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C29H29N3O3/c33-28-22-35-27-11-5-4-10-26(27)32(28)21-24-12-14-25(15-13-24)29(34)31-19-17-30(18-20-31)16-6-9-23-7-2-1-3-8-23/h1-15H,16-22H2
InChIK	DKESJKVTTNFIGO-UHFFFAOYSA-N
TotalMolweight	467.567
Molweight	467.567
MonoisotopicMass	467.220892
CLogP	4.2613
CLogS	-4.173
H Acceptors	6
TotalSurfaceArea	365
Relative PSA	0.12803
PolarSurfaceArea	53.09
Druglikeness	7.8398
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	6
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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