8-bromo-3-[(Z)-pyridin-3-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C16H10N5O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-bromo-3-[(Z)-pyridin-3-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.

MolName	8-bromo-3-[(Z)-pyridin-3-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C16H10N5O2Br
Smiles	O=C(c([nH]c(cc1)c2cc1Br)c2NC1=O)N1/N=C\c1cnccc1
InChI	InChI=1S/C16H10BrN5O2/c17-10-3-4-12-11(6-10)13-14(20-12)15(23)22(16(24)21-13)19-8-9-2-1-5-18-7-9/h1-8,20H,(H,21,24)
InChIK	CHQHPGKCNANGQM-UHFFFAOYSA-N
TotalMolweight	384.192
Molweight	384.192
MonoisotopicMass	383.001786
CLogP	2.2407
CLogS	-4.686
H Acceptors	7
H Donors	2
TotalSurfaceArea	243.1
Relative PSA	0.31905
PolarSurfaceArea	90.45
Druglikeness	3.4927
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Amides	1
Aromatic Nitrogens	2
StereoCon

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