Molecular Properties | |
SMILES: | O=C(O)[C@H](Cc1ccc(O)cc1)/N=C/c1ccc2ccccc2c1 |
MW: | 319.12 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 69.89 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6283031931 |
imine
Imines
MAR-TRE-e86a56b5-77
0.400
MAR-TRE-e86a56b5-39
0.338
MAR-TRE-e86a56b5-11
0.333
MAR-TRE-e86a56b5-55
0.321
MAR-TRE-e86a56b5-5
0.313
MAR-TRE-e86a56b5-46
0.309
MAR-TRE-e86a56b5-15
0.304
MAR-TRE-e86a56b5-98
0.303
MAR-TRE-e86a56b5-66
0.300
MAR-TRE-e86a56b5-45
0.297
MAR-TRE-e86a56b5-62
0.297
MAR-TRE-e86a56b5-63
0.292
MAR-TRE-fffca54f-96
0.292
MAR-TRE-e86a56b5-6
0.287
MAR-TRE-e86a56b5-21
0.287
MAR-TRE-e86a56b5-37
0.284
ALV-UNI-7ff1a6f9-47
0.281
MAR-TRE-e86a56b5-50
0.280
MAR-TRE-e86a56b5-99
0.280
MAR-TRE-e86a56b5-81
0.278
MAR-TRE-85681e92-70
0.278
MAR-TRE-e86a56b5-69
0.275
MAR-TRE-e86a56b5-47
0.273
MAR-TRE-ebcc4ad6-35
0.273
MAR-TRE-e86a56b5-67
0.272
MAR-TRE-e86a56b5-84
0.267
MAR-TRE-4f39ef4a-40
0.265
MAR-TRE-e86a56b5-97
0.264
LON-WEI-af038623-8
0.263
MAR-TRE-e86a56b5-56
0.263
MAR-TRE-e86a56b5-31
0.263
ALV-UNI-7ff1a6f9-45
0.261
CHA-KIN-bfe9b535-6
0.257
MAR-TRE-85681e92-51
0.256
MAR-TRE-e86a56b5-19
0.256
NIC-BIO-a68395b7-4
0.256
MAR-TRE-e86a56b5-58
0.253
ALV-UNI-7ff1a6f9-46
0.253
NIM-UNI-bb9030bf-8
0.253
NIM-UNI-ed9fc491-3
0.250
MAK-UNK-c44f4be0-8
0.250
TRY-UNI-9f475305-10
0.247
AAR-POS-d2a4d1df-16
0.247
VOL-CHA-d666e5ae-5
0.247
MAR-TRE-e86a56b5-28
0.247
NIM-UNI-13494739-7
0.245
TAT-ENA-80bfd3e5-17
0.245
MAK-UNK-c44f4be0-10
0.245
MAR-TRE-4f39ef4a-25
0.245
TRY-UNI-9f475305-11
0.244
MAR-TRE-e86a56b5-73
0.244
TAT-ENA-80bfd3e5-5
0.242
VOL-CHA-d666e5ae-1
0.242
NIC-BIO-a68395b7-5
0.241
NIC-BIO-a68395b7-3
0.241
MAR-TRE-e86a56b5-52
0.241
GIA-UNK-7337c2f3-15
0.237
NIC-BIO-a68395b7-1
0.237
MAR-TRE-9d18ae8c-28
0.236
MAR-TRE-4f39ef4a-52
0.236
DRR-IMP-db50bf6e-2
0.235
RED-RED-10c9212c-36
0.235
MAR-UCB-195bc32d-43
0.234
VOL-CHA-d666e5ae-2
0.233
NIC-BIO-a68395b7-2
0.233
JUA-UNI-a9dfaed1-7
0.233
MAK-UNK-c44f4be0-7
0.233
OLE-CAR-5b17bec5-6
0.232
WAR-XCH-bdd24732-33
0.232
ARI-TAT-5792557e-4
0.231
MAR-TRE-e86a56b5-64
0.231
VOL-CHA-d666e5ae-4
0.231
MAR-TRE-9d18ae8c-14
0.231
MAR-TRE-e86a56b5-41
0.231
MAK-UNK-c44f4be0-11
0.231
MAR-TRE-9d18ae8c-20
0.230
WAR-XCH-b0339bbe-5
0.229
MAR-TRE-92684b97-2
0.229
NAU-LAT-64f4b287-6
0.225
MAR-TRE-e86a56b5-36
0.225
LIL-FNM-97d58b1d-1
0.225
NIM-UNI-ed9fc491-4
0.224
MAR-TRE-9d18ae8c-60
0.223
MAK-UNK-c44f4be0-9
0.223
MAK-UNK-7c9d1431-3
0.222
DRR-IMP-dff87f5e-2
0.222
MAK-UNK-c44f4be0-3
0.222
MAR-TRE-d3c2bf0e-8
0.221
CHA-KIN-bfe9b535-8
0.220
TAT-ENA-80bfd3e5-31
0.219
WAR-XCH-b0339bbe-15
0.219
MAR-TRE-e86a56b5-74
0.218
VOL-CHA-d666e5ae-3
0.217
NIM-UNI-ed9fc491-1
0.216
MAR-TRE-fffca54f-71
0.216
CHA-KIN-bfe9b535-7
0.216
LIL-FNM-c6f69784-1
0.215
NIM-UNI-ed9fc491-2
0.214
NIM-NMI-8bb27a2b-26
0.214
MAK-UNK-10799360-26
0.212