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(2S,8S)-2-(3-methylphenyl)-6-[[(2R)-oxolan-2-yl]methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Formula:C26H27N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S,8S)-2-(3-methylphenyl)-6-[[(2R)-oxolan-2-yl]methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
MolName(2S,8S)-2-(3-methylphenyl)-6-[[(2R)-oxolan-2-yl]methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC26H27N3O3
SmilesCc1cccc([C@@H](c2c(C[C@H]3C(N(C[C@@H]4OCCC4)C4)=O)c(cccc5)c5[nH]2)N3C4=O)c1
InChIInChI=1S/C26H27N3O3/c1-16-6-4-7-17(12-16)25-24-20(19-9-2-3-10-21(19)27-24)13-22-26(31)28(15-23(30)29(22)25)14-18-8-5-11-32-18/h2-4,6-7,9-10,12,18,22,25,27H,5,8,11,13-15H2,1H3/t18-,22+,25+/m1/s1
InChIKPOZWVXURYZDLPS-MOADCYBESA-N
TotalMolweight429.518
Molweight429.518
MonoisotopicMass429.205242
CLogP2.9283
CLogS-3.928
H Acceptors6
H Donors1
TotalSurfaceArea315.11
Relative PSA0.18143
PolarSurfaceArea65.64
Druglikeness3.9782
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.40625
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
StereoCenters3
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms11
Amides2
Aromatic Nitrogens1
StereoConthis enantiomer

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