1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(2-ethylphenyl)urea

Formula:C30H36N4O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(2-ethylphenyl)urea is not a drug-like molecule.

MolName	1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(2-ethylphenyl)urea
MolecularFormula	C30H36N4O2
Smiles	CCc(cccc1)c1NC(Nc(cc1)ccc1N(CC1)CCN1C(c1ccc(C(C)(C)C)cc1)=O)=O
InChI	InChI=1S/C30H36N4O2/c1-5-22-8-6-7-9-27(22)32-29(36)31-25-14-16-26(17-15-25)33-18-20-34(21-19-33)28(35)23-10-12-24(13-11-23)30(2,3)4/h6-17H,5,18-21H2,1-4H3,(H2,31,32,36)
InChIK	QQJDGEUMGAQBEY-UHFFFAOYSA-N
TotalMolweight	484.642
Molweight	484.642
MonoisotopicMass	484.283826
CLogP	6.4213
CLogS	-6.364
H Acceptors	6
H Donors	2
TotalSurfaceArea	386.55
Relative PSA	0.14513
PolarSurfaceArea	64.68
Druglikeness	3.6574
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	8
Amides	3
Amines	1
Aromatic Amines	1
StereoCon

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