(4S)-6-amino-4-(2,3-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Formula:C21H18N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4S)-6-amino-4-(2,3-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is a drug-like molecule.

MolName	(4S)-6-amino-4-(2,3-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MolecularFormula	C21H18N4O3
Smiles	COc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c23)c1OC
InChI	InChI=1S/C21H18N4O3/c1-26-15-10-6-9-13(19(15)27-2)16-14(11-22)20(23)28-21-17(16)18(24-25-21)12-7-4-3-5-8-12/h3-10,16H,23H2,1-2H3,(H,24,25)/t16-/m0/s1
InChIK	ATEHWRDMUPSSPY-INIZCTEOSA-N
TotalMolweight	374.399
Molweight	374.399
MonoisotopicMass	374.137891
CLogP	2.237
CLogS	-5.877
H Acceptors	7
H Donors	2
TotalSurfaceArea	287.78
Relative PSA	0.29116
PolarSurfaceArea	106.18
Druglikeness	-2.3937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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