N-(3-morpholin-4-ylpropyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-pyrrolidin-1-ylbenzamide

Formula:C27H33N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-morpholin-4-ylpropyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-pyrrolidin-1-ylbenzamide is not a drug-like molecule.

MolName	N-(3-morpholin-4-ylpropyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-pyrrolidin-1-ylbenzamide
MolecularFormula	C27H33N5O5
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cc2)cc(C(NCCCN3CCOCC3)=O)c2N2CCCC2)=O)cc1)=O
InChI	InChI=1S/C27H33N5O5/c33-26(11-6-21-4-8-23(9-5-21)32(35)36)29-22-7-10-25(31-14-1-2-15-31)24(20-22)27(34)28-12-3-13-30-16-18-37-19-17-30/h4-11,20H,1-3,12-19H2,(H,28,34)(H,29,33)
InChIK	MCRLVDLBGNRGGP-UHFFFAOYSA-N
TotalMolweight	507.589
Molweight	507.589
MonoisotopicMass	507.24817
CLogP	1.3412
CLogS	-4.445
H Acceptors	10
H Donors	2
TotalSurfaceArea	396.57
Relative PSA	0.24339
PolarSurfaceArea	119.73
Druglikeness	-3.4442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	6
Amides	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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