5-(diaminomethylideneamino)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carbonyl]amino]pentanoic acid

Formula:C24H24N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-(diaminomethylideneamino)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carbonyl]amino]pentanoic acid is not a drug-like molecule.

MolName	5-(diaminomethylideneamino)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carbonyl]amino]pentanoic acid
MolecularFormula	C24H24N4O8
Smiles	NC(N)=NCCCC(C(O)=O)NC(C(Oc1c2ccc(O)c1)=C(c(cc1)cc3c1OCCO3)C2=O)=O
InChI	InChI=1S/C24H24N4O8/c25-24(26)27-7-1-2-15(23(32)33)28-22(31)21-19(12-3-6-16-18(10-12)35-9-8-34-16)20(30)14-5-4-13(29)11-17(14)36-21/h3-6,10-11,15,29H,1-2,7-9H2,(H,28,31)(H,32,33)(H4,25,26,27)/t15-/m0/s1
InChIK	BRZHNKBKRRMYHY-HNNXBMFYSA-N
TotalMolweight	496.475
Molweight	496.475
MonoisotopicMass	496.159416
CLogP	0.0542
CLogS	-4.087
H Acceptors	12
H Donors	5
TotalSurfaceArea	357.66
Relative PSA	0.41612
PolarSurfaceArea	195.79
Druglikeness	-14.798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	1
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - 5-(diaminomethylideneamino)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carbonyl]amino]pentanoic acid | 2 - 5-(diaminomethylideneamino)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carbonyl]amino]pentanoic acid

Request More Details | 5-(diaminomethylideneamino)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carbonyl]amino]pentanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments