N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide

Formula:C25H25N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
MolecularFormula	C25H25N5O2S
Smiles	O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C25H25N5O2S/c31-24(22-8-5-15-33-22)28-21(16-18-17-27-20-7-2-1-6-19(18)20)25(32)30-13-11-29(12-14-30)23-9-3-4-10-26-23/h1-10,15,17,21,27H,11-14,16H2,(H,28,31)/t21-/m1/s1
InChIK	QXDXAVDEXKKLNC-OAQYLSRUSA-N
TotalMolweight	459.573
Molweight	459.573
MonoisotopicMass	459.172895
CLogP	3.0799
CLogS	-4.218
H Acceptors	7
H Donors	2
TotalSurfaceArea	347.01
Relative PSA	0.25924
PolarSurfaceArea	109.57
Druglikeness	10.519
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	6
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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