1,3-bis[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]urea

Formula:C27H30N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,3-bis[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]urea is a drug-like molecule.

MolName	1,3-bis[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]urea
MolecularFormula	C27H30N4O3
Smiles	O=C(/C=C/c1ccccc1)N(CCC1)C1NC(NC(CCC1)N1C(/C=C/c1ccccc1)=O)=O
InChI	InChI=1S/C27H30N4O3/c32-25(17-15-21-9-3-1-4-10-21)30-19-7-13-23(30)28-27(34)29-24-14-8-20-31(24)26(33)18-16-22-11-5-2-6-12-22/h1-6,9-12,15-18,23-24H,7-8,13-14,19-20H2,(H2,28,29,34)
InChIK	KJHNJBWYWNWBME-UHFFFAOYSA-N
TotalMolweight	458.56
Molweight	458.56
MonoisotopicMass	458.231791
CLogP	4.3644
CLogS	-4.534
H Acceptors	7
H Donors	2
TotalSurfaceArea	363.35
Relative PSA	0.19028
PolarSurfaceArea	81.75
Druglikeness	2.7056
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	18
Amides	4
StereoCon	unknown chirality

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