(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(4-morpholin-4-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Formula:C31H33N6O4F Mutagenic:high Tumorigenic:high Reproductive Effective:none (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(4-morpholin-4-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is not a drug-like molecule.

MolName	(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(4-morpholin-4-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
MolecularFormula	C31H33N6O4F
Smiles	O=C(Cn1nnc2c1cccc2)N([C@@H](C(NC[C@@H]1OCCC1)=O)c(cc1)ccc1N1CCOCC1)c(cccc1)c1F
InChI	InChI=1S/C31H33FN6O4/c32-25-7-1-3-9-27(25)38(29(39)21-37-28-10-4-2-8-26(28)34-35-37)30(31(40)33-20-24-6-5-17-42-24)22-11-13-23(14-12-22)36-15-18-41-19-16-36/h1-4,7-14,24,30H,5-6,15-21H2,(H,33,40)/t24-,30-/m1/s1
InChIK	FKHATEUYNSPGAE-AYWVHJORSA-N
TotalMolweight	572.639
Molweight	572.639
MonoisotopicMass	572.254732
CLogP	2.1502
CLogS	-4.686
H Acceptors	10
H Donors	1
TotalSurfaceArea	429.85
Relative PSA	0.2174
PolarSurfaceArea	101.82
Druglikeness	-2.0591
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.40476
Fragments	1
Non HAtoms	42
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	2
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	13
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon	this enantiomer

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1 - (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(4-morpholin-4-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide | 2 - (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(4-morpholin-4-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

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