3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C25H26N4O5 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C25H26N4O5
Smiles	NC(NCCCC(C(C1C(N2)=O)C2=O)(C(O)=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C25H26N4O5/c26-24(34)27-14-4-13-25(23(32)33)19-18(21(30)28-22(19)31)20(29-25)17-11-9-16(10-12-17)8-7-15-5-2-1-3-6-15/h1-3,5-12,18-20,29H,4,13-14H2,(H,32,33)(H3,26,27,34)(H,28,30,31)
InChIK	VAGGRUKYHGGRTJ-UHFFFAOYSA-N
TotalMolweight	462.504
Molweight	462.504
MonoisotopicMass	462.190321
CLogP	-1.0738
CLogS	-4.232
H Acceptors	9
H Donors	5
TotalSurfaceArea	341.96
Relative PSA	0.33603
PolarSurfaceArea	150.62
Druglikeness	1.5241
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	4
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	3
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Request More Details | 3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

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