3-[3-(carbamoylamino)propyl]-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C25H32N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3-(carbamoylamino)propyl]-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	3-[3-(carbamoylamino)propyl]-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C25H32N4O5
Smiles	NC(NCCCC(C(C1C(N2C3CCCCC3)=O)C2=O)(C(O)=O)NC1/C=C/c1ccccc1)=O
InChI	InChI=1S/C25H32N4O5/c26-24(34)27-15-7-14-25(23(32)33)20-19(18(28-25)13-12-16-8-3-1-4-9-16)21(30)29(22(20)31)17-10-5-2-6-11-17/h1,3-4,8-9,12-13,17-20,28H,2,5-7,10-11,14-15H2,(H,32,33)(H3,26,27,34)/b13-12+
InChIK	DVMUIDJVRZFJGD-OUKQBFOZSA-N
TotalMolweight	468.552
Molweight	468.552
MonoisotopicMass	468.237271
CLogP	-0.8907
CLogS	-4.132
H Acceptors	9
H Donors	4
TotalSurfaceArea	348.84
Relative PSA	0.30673
PolarSurfaceArea	141.83
Druglikeness	-2.9488
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	4
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	15
Symmetricatoms	4
Amides	3
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 3-[3-(carbamoylamino)propyl]-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 3-[3-(carbamoylamino)propyl]-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Request More Details | 3-[3-(carbamoylamino)propyl]-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

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