N-[(6Z,12Z)-6,12-diphenyl-2-[(2-piperidin-1-ylacetyl)amino]benzo[c][1,5]benzodiazocin-8-yl]-2-piperidin-1-ylacetamide

Formula:C40H42N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(6Z,12Z)-6,12-diphenyl-2-[(2-piperidin-1-ylacetyl)amino]benzo[c][1,5]benzodiazocin-8-yl]-2-piperidin-1-ylacetamide is not a drug-like molecule.

MolName	N-[(6Z,12Z)-6,12-diphenyl-2-[(2-piperidin-1-ylacetyl)amino]benzo[c][1,5]benzodiazocin-8-yl]-2-piperidin-1-ylacetamide
MolecularFormula	C40H42N6O2
Smiles	O=C(CN1CCCCC1)NC1=C/C2=C(\c3ccccc3)/N=C(/C=CC(NC(CN3CCCCC3)=O)=C3)\C3=C(\c3ccccc3)/N=C2/C=C1
InChI	InChI=1S/C40H42N6O2/c47-37(27-45-21-9-3-10-22-45)41-31-17-19-35-33(25-31)39(29-13-5-1-6-14-29)43-36-20-18-32(42-38(48)28-46-23-11-4-12-24-46)26-34(36)40(44-35)30-15-7-2-8-16-30/h1-2,5-8,13-20,25-26H,3-4,9-12,21-24,27-28H2,(H,41,47)(H,42,48)
InChIK	PQIMYWBIGWAWPQ-UHFFFAOYSA-N
TotalMolweight	638.813
Molweight	638.813
MonoisotopicMass	638.336924
CLogP	4.5084
CLogS	-5.402
H Acceptors	8
H Donors	2
TotalSurfaceArea	503.86
Relative PSA	0.15703
PolarSurfaceArea	89.4
Druglikeness	3.6254
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.47917
Fragments	1
Non HAtoms	48
NonCHAtoms	8
Electronegative Atoms	8
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 - N-[(6Z,12Z)-6,12-diphenyl-2-[(2-piperidin-1-ylacetyl)amino]benzo[c][1,5]benzodiazocin-8-yl]-2-piperidin-1-ylacetamide | 2 - N-[(6Z,12Z)-6,12-diphenyl-2-[(2-piperidin-1-ylacetyl)amino]benzo[c][1,5]benzodiazocin-8-yl]-2-piperidin-1-ylacetamide

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