(3S)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

Formula:C22H25N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3S)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is a drug-like molecule.

MolName	(3S)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
MolecularFormula	C22H25N3O3
Smiles	COc1cccc(N(C(C[C@@H]2N3CCN(Cc4ccccc4)CC3)=O)C2=O)c1
InChI	InChI=1S/C22H25N3O3/c1-28-19-9-5-8-18(14-19)25-21(26)15-20(22(25)27)24-12-10-23(11-13-24)16-17-6-3-2-4-7-17/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1
InChIK	ULFWWMHAYFTAHT-FQEVSTJZSA-N
TotalMolweight	379.459
Molweight	379.459
MonoisotopicMass	379.189592
CLogP	1.8128
CLogS	-2.443
H Acceptors	6
TotalSurfaceArea	289.74
Relative PSA	0.16128
PolarSurfaceArea	53.09
Druglikeness	7.6049
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon	this enantiomer

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