2-morpholin-4-yl-N-[(6Z,12Z)-2-[(2-morpholin-4-ylacetyl)amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide

Formula:C38H38N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-morpholin-4-yl-N-[(6Z,12Z)-2-[(2-morpholin-4-ylacetyl)amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide is not a drug-like molecule.

MolName	2-morpholin-4-yl-N-[(6Z,12Z)-2-[(2-morpholin-4-ylacetyl)amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide
MolecularFormula	C38H38N6O4
Smiles	O=C(CN1CCOCC1)NC1=C/C2=C(\c3ccccc3)/N=C(/C=CC(NC(CN3CCOCC3)=O)=C3)\C3=C(\c3ccccc3)/N=C2/C=C1
InChI	InChI=1S/C38H38N6O4/c45-35(25-43-15-19-47-20-16-43)39-29-11-13-33-31(23-29)37(27-7-3-1-4-8-27)41-34-14-12-30(40-36(46)26-44-17-21-48-22-18-44)24-32(34)38(42-33)28-9-5-2-6-10-28/h1-14,23-24H,15-22,25-26H2,(H,39,45)(H,40,46)
InChIK	YKUKYBLHSCZVGM-UHFFFAOYSA-N
TotalMolweight	642.758
Molweight	642.758
MonoisotopicMass	642.295454
CLogP	2.1804
CLogS	-3.624
H Acceptors	10
H Donors	2
TotalSurfaceArea	496.34
Relative PSA	0.1997
PolarSurfaceArea	107.86
Druglikeness	4.2413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47917
Fragments	1
Non HAtoms	48
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	7
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	28
Amides	2
Amines	2
AlkylAmines	2
BasicNitrogens	4
StereoCon

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1 - 2-morpholin-4-yl-N-[(6Z,12Z)-2-[(2-morpholin-4-ylacetyl)amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide | 2 - 2-morpholin-4-yl-N-[(6Z,12Z)-2-[(2-morpholin-4-ylacetyl)amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide

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