Molecular Properties | |
SMILES: | CC(C)=C(C)c1c(C)oc2cc(OC(N)=O)cc(C(=O)N(C)C)c2c1=O |
MW: | 358.15 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 102.84 |
cLogP: | 3.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
carbamate include di-substitued N
Phenylester
MHE-FAS-63bfa48b-3
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-20
0.526
MHE-FAS-1425a38d-1
0.525
MHE-FAS-63bfa48b-9
0.521
MHE-FAS-63bfa48b-18
0.519
MHE-FAS-63bfa48b-1
0.519
MHE-FAS-63bfa48b-12
0.519
MHE-FAS-63bfa48b-10
0.506
MHE-FAS-63bfa48b-15
0.500
MHE-FAS-63bfa48b-11
0.500
MHE-FAS-63bfa48b-14
0.487
MHE-FAS-63bfa48b-16
0.487
MHE-FAS-63bfa48b-19
0.463
MHE-FAS-63bfa48b-17
0.419
MAR-TRE-fd17a9b8-57
0.191
PIF-PI_-040a338f-1
0.188
WIL-UNI-1faa9b10-48
0.187
MAR-TRE-6c5ef77a-69
0.185
WIL-UNI-1faa9b10-43
0.182
RYA-UNI-da6d17ea-1
0.177
MAR-TRE-ebcc4ad6-36
0.176
KRI-MAR-d2e3ef86-14
0.175
JOH-IMS-0f19a540-3
0.175
JOH-IMS-7e73aedd-9
0.175
LYN-UNI-c2dd631d-8
0.174
KEI-TRE-fa9ada3e-8
0.172
BEN-DND-7e92b6ca-2
0.171
EDJ-MED-edeb0d3a-3
0.171
KRI-MAR-d2e3ef86-8
0.171
EDJ-MED-edeb0d3a-1
0.171
BEN-DND-b89db3f2-5
0.171
DAN-PUR-19f24f0c-2
0.171
MAD-UNK-45f6a6f4-1
0.171
MAD-UNK-61a3d09b-1
0.171
DIS-UNK-55652835-1
0.171
MAD-UNK-b88a1e4d-1
0.171
MED-UNK-7e7dab56-8
0.168
FAW-UNI-22767737-6
0.168
JON-UIO-e1edb2d8-7
0.167
NAU-LAT-ec9c7557-1
0.167
JON-UIO-56032f80-6
0.165
MAR-UCB-fd2e172f-10
0.164
KRI-MAR-d2e3ef86-28
0.164
MAT-POS-ea426761-19
0.164
JON-UIO-314afe9d-11
0.163
TAM-UNI-d1c3dd9f-4
0.163
MAR-TRE-fd17a9b8-22
0.163
MAT-POS-ea426761-20
0.163
MAR-TRE-fd17a9b8-83
0.163
JON-UNI-93996c9d-1
0.163
MAR-TRE-a78003aa-43
0.163
ALP-POS-fc6c627f-3
0.162
PAU-UNI-589039f7-3
0.162
PAU-UNI-d269d79c-3
0.162
WIL-UNI-2a57d06c-10
0.162
MAK-UNK-f481d203-7
0.161
MAR-TRE-8a25d817-34
0.161
MAT-POS-162a9720-11
0.160
RYA-MOD-343ecd80-2
0.160
MAR-TRE-a3327163-14
0.160
KTA-UNK-ec872bc6-1
0.160
MAT-POS-ea426761-23
0.159
MAR-TRE-fd17a9b8-50
0.158
EDG-MED-4c68219f-6
0.158
FAW-UNI-22767737-3
0.158
MAD-UNK-53efccd2-1
0.158
EDG-MED-21720aac-8
0.158
KRI-MAR-d2e3ef86-20
0.158
MAK-UNK-be3f299e-1
0.157
LYN-UNI-7bb260d6-12
0.157
ALP-POS-fc6c627f-2
0.157
MAR-TRE-a9136c7b-12
0.157
JON-UIO-e1edb2d8-8
0.157
MAR-TRE-85681e92-88
0.157
OLE-CAR-5b17bec5-2
0.156
MAT-POS-ea426761-22
0.156
MAR-TRE-e86a56b5-92
0.156
MAR-TRE-ebcc4ad6-48
0.156
MAR-TRE-6c5ef77a-31
0.156
EDG-MED-21720aac-1
0.156
MAR-TRE-3e4e6814-78
0.155
WIL-UNI-1faa9b10-50
0.155
MAT-POS-ea426761-43
0.155
MAR-TRE-85681e92-55
0.155
MAT-POS-06036648-7
0.155
MAT-POS-590ac91e-37
0.155
MAT-POS-ea426761-21
0.155
MAT-POS-ea426761-18
0.155
MAR-TRE-a78003aa-80
0.154
MAR-TRE-c317dd82-10
0.154
EDJ-MED-d2def222-1
0.154
BEN-DND-7e92b6ca-3
0.154
LYN-UNI-7bb260d6-3
0.154
RAF-SAT-b3ff87a1-1
0.154