[(Z)-[2-(1-adamantyl)-1-phenylethylidene]amino]thiourea

Formula:C19H25N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[2-(1-adamantyl)-1-phenylethylidene]amino]thiourea is a drug-like molecule.

MolName[(Z)-[2-(1-adamantyl)-1-phenylethylidene]amino]thiourea
MolecularFormulaC19H25N3S
SmilesNC(N/N=C(/CC1(CC(C2)C3)CC3CC2C1)\c1ccccc1)=S
InChIInChI=1S/C19H25N3S/c20-18(23)22-21-17(16-4-2-1-3-5-16)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2,(H3,20,22,23)
InChIKQFUZBNHSQRAFQM-UHFFFAOYSA-N
TotalMolweight327.495
Molweight327.495
MonoisotopicMass327.176917
CLogP3.8214
CLogS-5.683
H Acceptors3
H Donors2
TotalSurfaceArea252.65
Relative PSA0.26218
PolarSurfaceArea82.5
Druglikeness1.4558
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.43478
Fragments1
Non HAtoms23
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond4
Rings Closures4
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms12
Symmetricatoms8
StereoCon

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