Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@@H](C(=O)N(C#N)c2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 447.11 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.4 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
enamine
Filter86_cyanamide
Aminonitrile
PET-UNK-f860268d-4
1.000
PET-UNK-f860268d-3
0.849
PET-UNK-f860268d-6
0.849
PET-UNK-9b053684-1
0.630
PET-UNK-9b053684-4
0.630
PET-UNK-9b053684-2
0.622
PET-UNK-9b053684-5
0.622
PET-UNK-064639eb-5
0.602
EDJ-MED-015fb6b4-2
0.602
MAT-POS-acfe5bae-2
0.602
PET-UNK-064639eb-2
0.602
MAT-POS-a54ce14d-2
0.602
MAT-POS-a54ce14d-3
0.602
JOH-UNI-6b98e24c-3
0.555
PET-UNK-064639eb-6
0.533
PET-UNK-064639eb-3
0.533
MAT-POS-c7726e07-3
0.527
MAT-POS-c7726e07-4
0.527
MAT-POS-e119ab4f-2
0.527
MIK-ENA-5d9157e9-3
0.523
MIK-ENA-5d9157e9-4
0.523
EDJ-MED-0186a59b-8
0.523
PET-UNK-064639eb-1
0.519
PET-UNK-064639eb-4
0.519
LUO-POS-74179f4f-1
0.514
LUO-POS-edefcc0e-1
0.514
EDJ-MED-0186a59b-6
0.514
EDJ-MED-827e7cb4-3
0.513
EDJ-MED-ce467fd5-1
0.513
PET-UNK-9b053684-3
0.513
PET-UNK-9b053684-6
0.513
PET-UNK-615ad708-6
0.513
PET-UNK-615ad708-3
0.513
LUO-POS-868e8996-3
0.509
LUO-POS-868e8996-4
0.509
MIC-UNK-51049f1a-2
0.509
RAL-THA-a9c31980-1
0.509
EDJ-MED-c99b2211-2
0.509
RAL-THA-a9c31980-4
0.509
EDJ-MED-75baa495-3
0.509
PET-UNK-f860268d-2
0.505
PET-UNK-f860268d-5
0.505
PET-UNK-c7ac4d9e-2
0.505
PET-UNK-c7ac4d9e-1
0.505
RAL-THA-5e0a6f1a-1
0.505
JOH-UNI-6b98e24c-1
0.504
EDJ-MED-43f8f7d6-3
0.504
RAL-THA-a9c31980-3
0.504
MAT-POS-e119ab4f-3
0.504
PET-UNK-4d432d33-2
0.500
RAL-THA-a9c31980-6
0.500
PET-UNK-4d432d33-6
0.500
RAL-THA-a9c31980-5
0.500
MAT-POS-13080fc6-4
0.496
EDJ-MED-c99b2211-1
0.496
MAT-POS-97ec4bd1-4
0.496
EDJ-MED-0186a59b-7
0.491
MAT-POS-2e8b2191-12
0.491
MIC-UNK-51049f1a-1
0.491
MAT-POS-c7726e07-1
0.491
MAT-POS-c7726e07-2
0.491
EDJ-MED-43f8f7d6-4
0.491
EDJ-MED-0186a59b-5
0.491
MAT-POS-e119ab4f-1
0.491
RAL-THA-a9c31980-9
0.487
PET-UNK-c6bcc80b-3
0.483
PET-UNK-c6bcc80b-10
0.483
MAT-POS-37ffad05-1
0.483
RAL-THA-a9c31980-2
0.483
MAT-POS-2e8b2191-11
0.479
EDJ-MED-43f8f7d6-6
0.479
RAL-THA-a9c31980-8
0.479
ALP-POS-4483ae88-3
0.478
MAT-POS-13080fc6-2
0.475
JOH-UNI-d2a12aa9-3
0.472
MAT-POS-b4d6b7fc-4
0.471
JOH-UNI-d2a12aa9-2
0.471
EDJ-MED-343bb62d-1
0.469
PET-UNK-4d432d33-1
0.468
PET-UNK-4d432d33-5
0.468
EDJ-MED-fb79a796-2
0.464
JOH-UNI-d2a12aa9-4
0.463
MAT-POS-b4d6b7fc-2
0.463
MIC-UNK-482af05e-3
0.460
EDJ-MED-eb111c00-4
0.460
EDJ-MED-eb111c00-3
0.459
ALP-POS-b3e0acc5-1
0.457
JOH-UNI-d2a12aa9-1
0.455
DAR-DIA-5ff57136-10
0.452
DAR-DIA-9f765dc6-7
0.452
DAR-DIA-9f765dc6-8
0.452
DAR-DIA-9f765dc6-9
0.452
MIC-UNK-482af05e-4
0.451
EDJ-MED-eb111c00-2
0.448
DAR-DIA-9f765dc6-10
0.443
DAR-DIA-9f765dc6-11
0.443
DAR-DIA-9f765dc6-12
0.443
EDJ-MED-015fb6b4-3
0.440
DAR-DIA-70d163b2-1
0.439
EDJ-MED-cc48ee33-6
0.438