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[(E)-[(3E)-1,3-diamino-3-(cyclohexylcarbamoyloxyimino)propylidene]amino] N-cyclohexylcarbamate

Formula:C17H30N6O4 Mutagenic:low Tumorigenic:low Reproductive Effective:none [(E)-[(3E)-1,3-diamino-3-(cyclohexylcarbamoyloxyimino)propylidene]amino] N-cyclohexylcarbamate is a drug-like molecule.
MolName[(E)-[(3E)-1,3-diamino-3-(cyclohexylcarbamoyloxyimino)propylidene]amino] N-cyclohexylcarbamate
MolecularFormulaC17H30N6O4
SmilesN/C(/C/C(/N)=N\OC(NC1CCCCC1)=O)=N/OC(NC1CCCCC1)=O
InChIInChI=1S/C17H30N6O4/c18-14(22-26-16(24)20-12-7-3-1-4-8-12)11-15(19)23-27-17(25)21-13-9-5-2-6-10-13/h12-13H,1-11H2,(H2,18,22)(H2,19,23)(H,20,24)(H,21,25)
InChIKLBGVOXZOKSOWPJ-UHFFFAOYSA-N
TotalMolweight382.463
Molweight382.463
MonoisotopicMass382.232854
CLogP2.4156
CLogS-5.184
H Acceptors10
H Donors4
TotalSurfaceArea304.26
Relative PSA0.40281
PolarSurfaceArea153.42
Druglikeness-14.578
Mutageniclow
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7037
Fragments1
Non HAtoms27
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures2
Small Rings2
Sp3Atoms15
Symmetricatoms15
Amides2
StereoCon

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