Molecular Properties | |
SMILES: | C/C=C(\C)c1c(C)oc2cc(OC(N)=O)cc(C(=O)N(C)C)c2c1=O |
MW: | 344.14 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 102.84 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
carbamate include di-substitued N
Phenylester
MHE-FAS-63bfa48b-3
0.735
MHE-FAS-63bfa48b-4
0.735
MHE-FAS-63bfa48b-8
0.647
MHE-FAS-63bfa48b-5
0.639
MHE-FAS-63bfa48b-6
0.629
MHE-FAS-63bfa48b-7
0.603
MHE-FAS-63bfa48b-11
0.589
MHE-FAS-63bfa48b-13
0.579
MHE-FAS-63bfa48b-10
0.550
MHE-FAS-63bfa48b-9
0.527
MHE-FAS-63bfa48b-15
0.525
MHE-FAS-63bfa48b-14
0.513
MHE-FAS-63bfa48b-20
0.512
MHE-FAS-1425a38d-1
0.512
MHE-FAS-63bfa48b-18
0.506
MHE-FAS-63bfa48b-1
0.506
MHE-FAS-63bfa48b-12
0.506
MHE-FAS-63bfa48b-16
0.474
MHE-FAS-63bfa48b-19
0.451
MHE-FAS-63bfa48b-17
0.409
MAR-TRE-fd17a9b8-57
0.188
PIF-PI_-040a338f-1
0.184
WIL-UNI-1faa9b10-48
0.183
KRI-MAR-d2e3ef86-14
0.183
MAR-TRE-6c5ef77a-69
0.181
MAT-POS-ea426761-43
0.175
MAR-TRE-ebcc4ad6-36
0.172
TAM-UNI-d1c3dd9f-4
0.171
MAT-POS-ea426761-19
0.171
JOH-IMS-0f19a540-3
0.171
JOH-IMS-7e73aedd-9
0.171
LYN-UNI-c2dd631d-8
0.170
WIL-UNI-2a57d06c-10
0.170
BOW-UNK-ca7e31b7-1
0.169
KEI-TRE-fa9ada3e-8
0.168
BEN-DND-7e92b6ca-2
0.168
KRI-MAR-d2e3ef86-8
0.168
SEL-UNI-c5c112eb-2
0.167
DAN-PUR-19f24f0c-2
0.167
WIL-UNI-1faa9b10-43
0.167
FAW-UNI-22767737-6
0.165
MAR-TRE-6c5ef77a-31
0.165
MAR-TRE-85681e92-55
0.165
JON-UIO-e1edb2d8-7
0.163
NAU-LAT-ec9c7557-1
0.163
JON-UIO-56032f80-6
0.162
DAV-IMP-59dd6621-3
0.162
MAR-TRE-c317dd82-10
0.161
BER-UNK-c44c38d5-1
0.161
KRI-MAR-d2e3ef86-28
0.161
GIA-UNK-4de5abb1-5
0.160
ASH-SAT-43770c7d-8
0.160
CLI-TLC-e8bfb023-1
0.160
MAT-POS-ea426761-20
0.160
ALP-POS-fc6c627f-3
0.160
PAU-UNI-589039f7-3
0.159
PAU-UNI-d269d79c-3
0.159
MAD-UNK-b88a1e4d-1
0.159
MAD-UNK-45f6a6f4-1
0.159
MAD-UNK-61a3d09b-1
0.159
DIS-UNK-55652835-1
0.159
DRR-SHR-9a662592-1
0.158
MAK-UNK-f481d203-7
0.158
EDJ-MED-edeb0d3a-3
0.158
EDJ-MED-edeb0d3a-1
0.158
BEN-DND-b89db3f2-5
0.158
MAT-POS-ea426761-41
0.157
KTA-UNK-ec872bc6-1
0.156
UNK-UNK-2ede4078-69
0.156
MAT-POS-ea426761-23
0.156
KRI-MAR-d2e3ef86-20
0.155
WIL-UNI-d4749f31-33
0.155
ALP-POS-fc6c627f-2
0.154
UNK-UNK-2ede4078-19
0.154
MAK-UNK-be3f299e-1
0.154
MAT-POS-b5746674-135
0.153
OLE-CAR-5b17bec5-2
0.153
MED-UNK-7e7dab56-8
0.153
KEI-TRE-fa9ada3e-12
0.153
MAR-TRE-ebcc4ad6-33
0.153
MAR-TRE-3e4e6814-78
0.152
MAK-UNK-c8c8f7e2-2
0.152
MAK-UNK-7a704a63-11
0.152
MAR-TRE-e86a56b5-92
0.152
MAR-TRE-ebcc4ad6-48
0.152
EDJ-MED-6af13d92-1
0.152
MAT-POS-06036648-7
0.152
MAT-POS-590ac91e-37
0.152
MAT-POS-ea426761-21
0.152
LON-WEI-5e7d1b3e-8
0.152
ROD-LAS-d5538ff9-5
0.152
MAT-POS-ea426761-18
0.152
LON-WEI-4d77710c-8
0.152
JOH-UNI-a5c0a47e-3
0.151
JOH-UNI-591f77bd-1
0.151
BEN-DND-7e92b6ca-3
0.151
MAR-TRE-14ce9fd6-86
0.151
LYN-UNI-7bb260d6-3
0.151
RAF-SAT-b3ff87a1-1
0.151
MAR-TRE-a78003aa-62
0.151