2-amino-1-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C24H25N5O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C24H25N5O3
Smiles	COc1ccc(Cn2c3nc4ccccc4nc3c(C(NC[C@@H]3OCCC3)=O)c2N)cc1
InChI	InChI=1S/C24H25N5O3/c1-31-16-10-8-15(9-11-16)14-29-22(25)20(24(30)26-13-17-5-4-12-32-17)21-23(29)28-19-7-3-2-6-18(19)27-21/h2-3,6-11,17H,4-5,12-14,25H2,1H3,(H,26,30)/t17-/m1/s1
InChIK	VYHPZBNNCAKDJF-QGZVFWFLSA-N
TotalMolweight	431.495
Molweight	431.495
MonoisotopicMass	431.19574
CLogP	2.375
CLogS	-4.449
H Acceptors	8
H Donors	2
TotalSurfaceArea	326.73
Relative PSA	0.27111
PolarSurfaceArea	104.29
Druglikeness	3.1567
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	10
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	this enantiomer

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