1-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-(2-phenylethyl)thiourea

Formula:C25H31N5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-(2-phenylethyl)thiourea is a drug-like molecule.

MolName	1-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-(2-phenylethyl)thiourea
MolecularFormula	C25H31N5S
Smiles	S=C(NCCc1ccccc1)N/N=C(\C(C1)C2)/C3(Cc4ccccc4)CN2CCN1C3
InChI	InChI=1S/C25H31N5S/c31-24(26-12-11-20-7-3-1-4-8-20)28-27-23-22-16-29-13-14-30(17-22)19-25(23,18-29)15-21-9-5-2-6-10-21/h1-10,22H,11-19H2,(H2,26,28,31)
InChIK	XXIWXQDVCLYAQC-UHFFFAOYSA-N
TotalMolweight	433.622
Molweight	433.622
MonoisotopicMass	433.230015
CLogP	3.7532
CLogS	-3.471
H Acceptors	5
H Donors	2
TotalSurfaceArea	338.47
Relative PSA	0.20542
PolarSurfaceArea	74.99
Druglikeness	5.0616
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	8
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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1 - 1-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-(2-phenylethyl)thiourea | 2 - 1-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-(2-phenylethyl)thiourea

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