Molecular Properties | |
SMILES: | Cc1c(C#N)cc(Cc2cccc(Cl)c2)n1NC(=O)c1n[nH]c(=O)c2ccccc12 |
MW: | 417.1 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 103.57 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
DAR-DIA-bd041b9b-2
0.728
DAR-DIA-bd041b9b-23
0.602
DAR-DIA-bd041b9b-33
0.558
DAR-DIA-bd041b9b-34
0.548
DAR-DIA-bd041b9b-27
0.544
MAT-POS-fa06b69f-9
0.510
TAT-ENA-80bfd3e5-37
0.510
DAR-DIA-bd041b9b-5
0.509
DAR-DIA-bd041b9b-3
0.481
DAR-DIA-bd041b9b-6
0.443
DAR-DIA-bd041b9b-7
0.435
UNK-UNK-2ede4078-28
0.426
DAR-DIA-bd041b9b-4
0.425
DAR-DIA-bd041b9b-24
0.424
UNK-UNK-2ede4078-63
0.374
UNK-UNK-2ede4078-1
0.349
UNK-UNK-2ede4078-88
0.349
DAR-DIA-bd041b9b-28
0.345
DAR-DIA-bd041b9b-16
0.328
DAR-DIA-bd041b9b-9
0.326
DAR-DIA-bd041b9b-8
0.321
DAR-DIA-bd041b9b-17
0.313
UNK-UNK-2ede4078-92
0.300
DAR-DIA-bd041b9b-18
0.297
UNK-UNK-2ede4078-10
0.296
UNK-UNK-2ede4078-31
0.295
DAR-DIA-bd041b9b-29
0.291
EDJ-MED-c8e7a002-11
0.283
JOH-UNI-6fede743-3
0.283
MAT-POS-bb423b95-6
0.283
NAU-LAT-a5c7d7cb-10
0.283
JIN-POS-6dc588a4-19
0.283
JOH-UNI-3fc3434e-8
0.282
JOH-UNI-ee5ed7c8-8
0.282
PET-UNK-a692de38-1
0.281
UNK-UNK-2ede4078-33
0.279
JOH-UNI-ee5ed7c8-9
0.278
JOH-UNI-3fc3434e-9
0.278
EDG-MED-0da5ad92-13
0.277
JIN-POS-6dc588a4-24
0.275
PET-UNK-5ecb6237-1
0.274
VLA-UNK-0ffe3317-6
0.273
JOH-UNI-61f30276-1
0.271
JAN-GHE-5a013bed-5
0.271
RUB-POS-1325a9ea-1
0.270
MAT-POS-f7918075-7
0.270
MIC-UNK-4c7b8ba7-1
0.269
EDJ-MED-c8e7a002-6
0.268
JAN-GHE-5a013bed-1
0.267
MAT-POS-e1b5ac6b-1
0.266
NAU-LAT-a5c7d7cb-11
0.266
ROB-UNI-daaf9793-1
0.266
ERI-UCB-a0b0dbcb-12
0.265
JAN-GHE-5a013bed-4
0.265
MAK-UNK-6ca90168-23
0.264
JAN-GHE-5a013bed-3
0.264
DAR-DIA-bd041b9b-21
0.262
MIC-UNK-d935700b-1
0.262
JIN-POS-6dc588a4-5
0.262
MAT-POS-bb423b95-7
0.261
RUB-POS-1325a9ea-7
0.261
UNK-UNK-2ede4078-62
0.261
DAR-DIA-076fb6ea-5
0.261
JOH-UNI-23d9e1b1-1
0.260
PET-UNK-e44ffd04-1
0.259
NAU-LAT-a5c7d7cb-12
0.259
BEN-DND-02317c5c-8
0.259
PET-UNK-12d8d43f-2
0.259
MAR-TRE-f6f5f473-93
0.258
ALP-POS-8b8a49e1-8
0.257
RUB-POS-1325a9ea-23
0.257
ALP-POS-90e38439-1
0.257
VLA-UCB-1dbca3b4-1
0.257
MAT-POS-4211dce8-1
0.257
ALP-POS-76eab5ce-2
0.257
VLA-UNK-dc1d9354-1
0.257
NAU-LAT-a5c7d7cb-13
0.257
VLA-UCB-05e51b3f-17
0.257
PET-UNK-6314f867-3
0.257
DAR-DIA-56cf811e-3
0.256
ALP-POS-90e38439-3
0.255
MIC-UNK-42806bd5-2
0.255
ALP-POS-8b8a49e1-5
0.255
AGN-NEW-c7b24fe3-4
0.255
EDJ-MED-50fe53e8-4
0.255
BEN-DND-02317c5c-9
0.255
UNK-UNK-2ede4078-21
0.254
EDJ-MED-ee07cf00-8
0.254
MED-COV-4280ac29-15
0.253
HYO-UNK-49a60884-1
0.253
AAR-POS-d2a4d1df-35
0.253
JOH-UNI-0e1753c1-2
0.253
JOH-UNI-0e1753c1-3
0.253
JAG-UCB-a3ef7265-15
0.252
VLA-UNK-411a133b-1
0.252
EDG-MED-0da5ad92-21
0.252
ALP-POS-91609ae9-1
0.252
JOH-UNI-ee5ed7c8-7
0.252
JOH-UNI-3fc3434e-7
0.252
EDJ-MED-49816e9b-5
0.250