Molecular Properties | |
SMILES: | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O |
MW: | 392.21 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 82.19 |
cLogP: | 5.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8559142713 |
MolPort: | MolPort-039-139-216 |
o-tertbutylphenol
MAR-TRE-4f781e27-96
0.300
AAR-UNI-c25c2f1e-29
0.289
MAR-UCB-195bc32d-22
0.286
MAR-TRE-74c6519b-68
0.284
CUN-WAB-25b584ee-2
0.282
LON-WEI-4d77710c-20
0.280
LON-WEI-5e7d1b3e-20
0.280
ANT-OPE-ab37bd51-1
0.278
SAN-PRS-3c4a6997-2
0.274
MAR-UCB-195bc32d-9
0.270
GAB-REV-70cc3ca5-17
0.268
MAR-TRE-fd17a9b8-29
0.265
MAT-POS-ea426761-14
0.260
MAR-TRE-4f781e27-6
0.260
JIN-POS-6dc588a4-5
0.258
NIC-BIO-3276ca7f-7
0.258
KRI-MAR-d2e3ef86-12
0.257
WIL-UNI-1faa9b10-29
0.257
WIL-UNI-d4749f31-37
0.255
CUN-WAB-25b584ee-1
0.253
MAR-TRE-4f781e27-69
0.250
MAR-UCB-f313ec4d-1
0.245
AAR-UNI-c25c2f1e-73
0.245
RED-RED-10c9212c-9
0.245
MAR-TRE-36bf7dba-27
0.243
MAR-TRE-74c6519b-79
0.243
MAR-UCB-f313ec4d-4
0.243
NIC-BIO-3276ca7f-2
0.242
ANT-OPE-ab37bd51-2
0.242
MAR-TRE-8190bb11-25
0.242
DEN-EUR-293438d2-1
0.241
FRA-DIA-e29753f2-1
0.241
VLA-UCB-05e51b3f-18
0.241
VLA-UCB-50c39ae8-11
0.241
NAU-LAT-b7d8c353-3
0.241
JAG-UCB-c61058a9-45
0.241
BEN-DND-b89db3f2-1
0.241
SUN-WAB-e274cdaf-1
0.241
MAR-TRE-66ac689e-52
0.240
MAR-TRE-fd17a9b8-35
0.240
ALP-POS-a3de0cb1-14
0.239
MAR-TRE-36bf7dba-26
0.239
MAT-POS-e1b5ac6b-1
0.237
ROB-UNI-daaf9793-1
0.237
MAR-TRE-9d18ae8c-91
0.235
MAR-TRE-4f39ef4a-9
0.235
RED-RED-10c9212c-42
0.233
KEI-TRE-d5e2018a-23
0.233
MAR-TRE-4b834d9a-27
0.233
FRA-DIA-0fa076fe-3
0.233
IAN-BAS-5394d4c4-1
0.233
JOH-MSK-a63bdd1d-10
0.232
MAR-TRE-f5c2d31c-47
0.232
FEL-WAB-fb168420-3
0.231
MAT-POS-e1b5ac6b-2
0.231
MAT-POS-3b92565d-5
0.231
KRI-MAR-d2e3ef86-15
0.231
MAT-POS-3b92565d-4
0.231
MAR-TRE-36bf7dba-21
0.230
MAR-TRE-4f39ef4a-5
0.230
CHR-SOS-7098f804-4
0.230
DAR-DIA-8e329c92-10
0.229
MAR-TRE-fd17a9b8-10
0.229
NAU-LAT-a5c7d7cb-9
0.229
BEN-DND-7e92b6ca-3
0.228
MAR-TRE-fd17a9b8-18
0.227
AAR-UNI-c25c2f1e-34
0.227
MAR-TRE-92684b97-53
0.227
BEN-DND-7e92b6ca-4
0.227
MAR-UCB-195bc32d-18
0.226
NAU-LAT-30527ac5-6
0.226
ADA-UCB-6c2cb422-8
0.226
WAL-WAB-c1441da0-2
0.226
GAB-REV-df64cf17-18
0.225
WIL-UNI-d4749f31-38
0.225
DAR-DIA-8e329c92-9
0.225
MAR-TRE-85681e92-33
0.224
NAU-LAT-30527ac5-3
0.224
YIA-UNI-71f25a82-2
0.224
COM-UCB-8c7d23dc-8
0.223
AAR-UNI-c25c2f1e-26
0.223
MAR-TRE-b77b7921-67
0.221
YIA-UNI-71f25a82-1
0.221
ALP-UNI-ed5cdfd2-4
0.221
JAG-UCB-52b62a6f-17
0.220
MAT-UCB-70f7c0f7-5
0.220
GAB-REV-70cc3ca5-6
0.220
MAR-TRE-85681e92-68
0.220
ALP-POS-a3de0cb1-15
0.219
RED-RED-10c9212c-54
0.219
ALP-UNI-ed5cdfd2-5
0.219
FRA-DIA-0fa076fe-4
0.219
AAR-UNI-c25c2f1e-72
0.218
LON-WEI-4d77710c-3
0.217
LON-WEI-5e7d1b3e-3
0.217
FEL-WAB-fb168420-2
0.217
MAT-UCB-70f7c0f7-4
0.217
COM-UCB-8c7d23dc-12
0.217
WAL-WAB-c1441da0-1
0.217
MAR-TRE-85681e92-53
0.216