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C33H38N2O7 | Cheminformatics
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[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate

Molecular Formula : C33H38N2O7 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate is not a drug-like molecule.

MolName : [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate

MolecularFormula : C33H38N2O7

Smiles : O[C@@H](C[C@H](Cc1ccccc1)NC(COc1ccccc1)=O)[C@H](Cc1ccccc1)NC(O[C@@H]1[C@H](CCO2)[C@H]2OC1)=O

InChI : InChI=1S/C33H38N2O7/c36-29(20-25(18-23-10-4-1-5-11-23)34-31(37)22-40-26-14-8-3-9-15-26)28(19-24-12-6-2-7-13-24)35-33(38)42-30-21-41-32-27(30)16-17-39-32/h1-15,25,27-30,32,36H,16-22H2,(H,34,37)(H,35,38)/t25-,27-,28-,29-,30-,32-/m0/s1

InChIK : PUZGZFDZPYTBGL-KZECFEFESA-N

TotalMolweight : 574.672

Molweight : 574.672

MonoisotopicMass : 574.267903

CLogP : 3.886

CLogS : -5.583

H Acceptors : 9

H Donors : 3

TotalSurfaceArea : 441.87

Relative PSA : 0.23106

PolarSurfaceArea : 115.35

Druglikeness : -11.539

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.45238

Fragments : 1

Non HAtoms : 42

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 6

Rotatable Bond : 14

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 18

Symmetricatoms : 6

Amides : 2

StereoCon : this enantiomer

Click to Load Molecule:
1 - [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate
2 - [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate
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Request More Details | [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate


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