4-[3-[(E)-4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]but-1-en-3-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Formula:C34H26N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[3-[(E)-4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]but-1-en-3-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is not a drug-like molecule.

MolName	4-[3-[(E)-4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]but-1-en-3-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
MolecularFormula	C34H26N2O4
Smiles	O=C(C(C1C=CC2C1)C2C1=O)N1c1cccc(/C=C/C#Cc2cccc(N(C(C3C4C5C=CC3C5)=O)C4=O)c2)c1
InChI	InChI=1S/C34H26N2O4/c37-31-27-21-11-12-22(17-21)28(27)32(38)35(31)25-9-3-7-19(15-25)5-1-2-6-20-8-4-10-26(16-20)36-33(39)29-23-13-14-24(18-23)30(29)34(36)40/h1,3-5,7-16,21-24,27-30H,17-18H2
InChIK	QVGAILSNJAAGKK-UHFFFAOYSA-N
TotalMolweight	526.59
Molweight	526.59
MonoisotopicMass	526.189258
CLogP	4.2859
CLogS	-7.531
H Acceptors	6
TotalSurfaceArea	380.44
Relative PSA	0.15577
PolarSurfaceArea	74.76
Druglikeness	-0.99249
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	40
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	8
Rotatable Bond	4
Rings Closures	8
Small Rings	10
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	10
Amides	2
StereoCon	unknown chirality

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1 - 4-[3-[(E)-4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]but-1-en-3-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | 2 - 4-[3-[(E)-4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]but-1-en-3-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Request More Details | 4-[3-[(E)-4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]but-1-en-3-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

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