Molecular Properties | |
SMILES: | C=C(C)c1c(C)oc2cc(OC(N)=O)cc(C(=O)N(C)C)c2c1=O |
MW: | 330.12 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 102.84 |
cLogP: | 2.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
carbamate include di-substitued N
Phenylester
MHE-FAS-63bfa48b-4
0.758
MHE-FAS-63bfa48b-2
0.735
MHE-FAS-63bfa48b-8
0.667
MHE-FAS-63bfa48b-6
0.647
MHE-FAS-63bfa48b-7
0.620
MHE-FAS-63bfa48b-5
0.611
MHE-FAS-63bfa48b-13
0.595
MHE-FAS-63bfa48b-9
0.586
MHE-FAS-1425a38d-1
0.564
MHE-FAS-63bfa48b-12
0.558
MHE-FAS-63bfa48b-20
0.545
MHE-FAS-63bfa48b-14
0.526
MHE-FAS-63bfa48b-10
0.525
MHE-FAS-63bfa48b-18
0.519
MHE-FAS-63bfa48b-1
0.519
MHE-FAS-63bfa48b-15
0.519
MHE-FAS-63bfa48b-11
0.500
MHE-FAS-63bfa48b-16
0.487
MHE-FAS-63bfa48b-19
0.481
MHE-FAS-63bfa48b-17
0.419
MAR-TRE-fd17a9b8-57
0.204
WIL-UNI-1faa9b10-48
0.198
KRI-MAR-d2e3ef86-14
0.196
KRI-MAR-d2e3ef86-20
0.189
PIF-PI_-040a338f-1
0.188
MAR-TRE-6c5ef77a-69
0.185
KEI-TRE-fa9ada3e-8
0.185
MAR-TRE-85681e92-55
0.183
BEN-DND-7e92b6ca-2
0.183
WIL-UNI-1faa9b10-43
0.182
KRI-MAR-d2e3ef86-8
0.182
MAR-TRE-ebcc4ad6-36
0.176
JOH-IMS-7e73aedd-9
0.175
JOH-IMS-0f19a540-3
0.175
KRI-MAR-d2e3ef86-28
0.174
LYN-UNI-c2dd631d-8
0.174
PAU-UNI-589039f7-3
0.173
PAU-UNI-d269d79c-3
0.173
ALP-POS-fc6c627f-3
0.172
RYA-MOD-343ecd80-2
0.172
PAU-UNI-589039f7-1
0.171
PAU-UNI-d269d79c-2
0.171
EDJ-MED-edeb0d3a-1
0.171
BEN-DND-b89db3f2-5
0.171
EDJ-MED-edeb0d3a-3
0.171
DAN-PUR-19f24f0c-2
0.171
MAR-TRE-e86a56b5-92
0.169
FAW-UNI-22767737-6
0.168
NAU-LAT-ec9c7557-1
0.167
ALP-POS-fc6c627f-2
0.167
MAR-TRE-3e4e6814-78
0.167
MAT-POS-590ac91e-37
0.165
JON-UIO-56032f80-6
0.165
BEN-DND-7e92b6ca-3
0.165
RYA-UNI-da6d17ea-1
0.165
PAU-UNI-d269d79c-1
0.164
PAU-UNI-589039f7-2
0.164
MAT-POS-590ac91e-43
0.164
MAT-POS-ea426761-19
0.164
TAM-UNI-d1c3dd9f-4
0.163
JAN-GHE-f4ca5a00-8
0.163
JON-UIO-314afe9d-11
0.163
EDG-MED-21720aac-7
0.163
NAU-LAT-356bd3c2-3
0.163
COM-UCB-8c7d23dc-18
0.162
MAK-UNK-f481d203-7
0.161
MAK-UNK-0d6072ac-13
0.161
PET-UNK-e9bc7c59-7
0.160
KTA-UNK-ec872bc6-1
0.160
MAR-TRE-e86a56b5-9
0.159
MAT-POS-ea426761-23
0.159
MAT-POS-ea426761-17
0.158
ALP-POS-ddb41b15-4
0.158
FAW-UNI-22767737-3
0.158
MAK-UNK-be3f299e-1
0.157
VIR-GIT-7b3d3065-1
0.157
PAF-PIO-d312ccf6-3
0.157
ALP-POS-ddb41b15-10
0.157
MAR-TRE-a9136c7b-12
0.157
MAR-TRE-85681e92-88
0.157
MED-UNK-7e7dab56-8
0.156
OLE-CAR-5b17bec5-2
0.156
MAT-GIT-deadff56-3
0.156
MAT-POS-b5746674-76
0.156
ALP-POS-fc6c627f-1
0.156
MAR-TRE-ebcc4ad6-48
0.156
MAR-TRE-6c5ef77a-31
0.156
EDG-MED-21720aac-1
0.156
WIL-UNI-1faa9b10-50
0.155
MAT-POS-ea426761-43
0.155
LIZ-THE-d3ff4653-2
0.155
JON-UIO-e1edb2d8-7
0.155
MAT-POS-ea426761-21
0.155
ROD-LAS-d5538ff9-5
0.155
MAT-POS-ea426761-18
0.155
MAT-POS-06036648-7
0.155
MAR-UCB-fd2e172f-10
0.154
MAR-TRE-87acfbcc-82
0.154
LYN-UNI-7bb260d6-3
0.154
RAF-SAT-b3ff87a1-1
0.154