Molecular Properties | |
SMILES: | C=CC(=O)N1CC[C@@H](C2CCCCC2)C(=O)N1c1cccnc1 |
MW: | 313.401 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 53.51 |
cLogP: | 2.9444 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SAD-SAT-b55127ae-4
0.351
NIM-UNI-36e12f95-1
0.326
LON-WEI-adc59df6-64
0.310
DAR-DIA-fc970077-7
0.310
NIM-UNI-36e12f95-2
0.309
MAR-TRE-9c797165-66
0.297
NIM-UNI-bb9030bf-10
0.293
MED-UNK-e6e8ef8a-7
0.293
MED-UNK-e6e8ef8a-1
0.293
SIM-SYN-a98e6a07-6
0.292
DAR-DIA-fc970077-6
0.291
DAR-DIA-fc970077-10
0.291
SIM-SYN-a98e6a07-5
0.287
DAR-DIA-fc970077-1
0.286
EMI-TUK-b780fc43-1
0.284
EMI-TUK-6c6b371f-1
0.284
PET-UNK-4dc48bbe-9
0.282
DAR-DIA-fc970077-12
0.282
NIM-UNI-0ea3b7bf-5
0.279
LON-WEI-adc59df6-8
0.275
NIM-NMI-8bb27a2b-1
0.274
ERI-UCB-fbdd3ea1-5
0.274
ERI-UCB-fbdd3ea1-22
0.273
MAR-TRE-9c797165-7
0.273
NIM-NMI-8bb27a2b-15
0.272
ERI-UCB-ce40166b-22
0.272
NIM-UNI-bb9030bf-11
0.272
JAN-GHE-d851b096-7
0.271
ERI-UCB-fbdd3ea1-21
0.270
PET-UNK-4dc48bbe-7
0.270
MAR-TRE-2fd8122f-13
0.269
SAN-PRS-52b81272-1
0.268
ALE-HEI-f28a35b5-8
0.268
DAR-DIA-fc970077-4
0.267
ERI-UCB-fbdd3ea1-31
0.267
MAR-TRE-9d18ae8c-57
0.267
MAR-TRE-b77b7921-53
0.266
KEI-TRE-d5e2018a-77
0.266
MAR-TRE-04c86cea-49
0.265
MAR-TRE-74c6519b-18
0.265
AAR-POS-d2a4d1df-13
0.265
FRA-FAC-9ed5a63a-1
0.265
ALE-HEI-f28a35b5-9
0.265
DAR-DIA-fc970077-5
0.265
DAR-DIA-fc970077-8
0.264
MAR-TRE-04c86cea-46
0.263
ERI-UCB-fbdd3ea1-18
0.263
MAK-UNK-ca11b4f7-2
0.260
DAR-DIA-fc970077-3
0.260
DAR-DIA-fc970077-2
0.259
ASH-UNK-40b46b30-13
0.258
NIM-UNI-bb9030bf-12
0.258
SAD-SAT-2ceae68f-7
0.258
MAR-TRE-04c86cea-17
0.258
MAR-TRE-d0525fbf-90
0.256
MAR-TRE-04c86cea-35
0.255
MAR-TRE-f6f5f473-23
0.255
ERI-UCB-fbdd3ea1-19
0.255
LON-WEI-adc59df6-95
0.255
LON-WEI-adc59df6-35
0.255
ERI-UCB-fbdd3ea1-23
0.255
ERI-UCB-fbdd3ea1-6
0.255
NIM-UNI-bb9030bf-16
0.253
MAR-TRE-04c86cea-13
0.253
JAN-GHE-83b26c96-18
0.253
DAR-DIA-fc970077-11
0.253
MAR-TRE-3e4e6814-54
0.253
RAL-MED-9a5eb9cb-8
0.252
RAL-MED-9a5eb9cb-15
0.252
LON-WEI-adc59df6-96
0.250
JOH-IMS-62aeb97d-1
0.250
LON-WEI-adc59df6-93
0.250
MAR-TRE-74c6519b-26
0.250
NIM-UNI-bb9030bf-5
0.250
ERI-UCB-fbdd3ea1-7
0.248
LON-WEI-adc59df6-14
0.248
BEN-DND-031a96cc-2
0.247
ZAC-WAB-3baddbb3-1
0.247
ZAC-WAB-d55a3c2e-2
0.247
MAR-TRE-2fd8122f-39
0.247
LON-WEI-120e5cf5-11
0.247
RAI-NOV-c18e0037-7
0.247
CHR-SOS-54d5cf3e-4
0.245
NIM-UNI-bb9030bf-4
0.244
ERI-UCB-fbdd3ea1-8
0.243
MAR-TRE-04c86cea-8
0.243
KEN-MCD-4729dc98-1
0.243
NIM-NMI-8bb27a2b-3
0.243
NIM-UNI-0ea3b7bf-1
0.242
NIR-THE-b7e8e081-1
0.242
AHN-SAT-02ef6d10-6
0.241
DRR-IMP-38dce17f-4
0.241
TRY-UNI-69298daf-6
0.241
LON-WEI-adc59df6-62
0.240
LON-WEI-adc59df6-63
0.240
LON-WEI-adc59df6-71
0.240
LON-WEI-adc59df6-94
0.240
MAR-TRE-04c86cea-95
0.240
LON-WEI-adc59df6-44
0.240
WAR-XCH-79d12f6e-5
0.240