N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

Formula:C25H26N5O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide is not a drug-like molecule.

MolName	N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide
MolecularFormula	C25H26N5O7Cl
Smiles	[O-][N+](c1c(/C=C/C(NC2(CCNCC2)C(NCCNC(c(cc2)ccc2Cl)=O)=O)=O)cc2OCOc2c1)=O
InChI	InChI=1S/C25H26ClN5O7/c26-18-4-1-16(2-5-18)23(33)28-11-12-29-24(34)25(7-9-27-10-8-25)30-22(32)6-3-17-13-20-21(38-15-37-20)14-19(17)31(35)36/h1-6,13-14,27H,7-12,15H2,(H,28,33)(H,29,34)(H,30,32)
InChIK	CRRZKBZCZCHCEB-UHFFFAOYSA-N
TotalMolweight	543.962
Molweight	543.962
MonoisotopicMass	543.152077
CLogP	-0.6826
CLogS	-5.26
H Acceptors	12
H Donors	4
TotalSurfaceArea	397.43
Relative PSA	0.34064
PolarSurfaceArea	163.61
Druglikeness	-1.1583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amides	3
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide | 2 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

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