N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

Formula:C25H19N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is a drug-like molecule.

MolName	N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
MolecularFormula	C25H19N5O4
Smiles	N/C(/NC(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)=O)=N/c1nc(cccc2)c2o1
InChI	InChI=1S/C25H19N5O4/c26-24(29-25-27-18-12-6-7-13-20(18)34-25)28-21(31)19(14-15-8-2-1-3-9-15)30-22(32)16-10-4-5-11-17(16)23(30)33/h1-13,19H,14H2,(H3,26,27,28,29,31)/t19-/m0/s1
InChIK	DHIFDKNHQLDJRO-IBGZPJMESA-N
TotalMolweight	453.457
Molweight	453.457
MonoisotopicMass	453.143705
CLogP	3.1345
CLogS	-5.784
H Acceptors	9
H Donors	2
TotalSurfaceArea	335.09
Relative PSA	0.3163
PolarSurfaceArea	130.89
Druglikeness	4.7229
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	7
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	racemate

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