Molecular Properties | |
SMILES: | CCCc1c(C)oc2cc(OC(N)=O)cc(C(=O)N(C)C)c2c1=O |
MW: | 332.14 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 102.84 |
cLogP: | 2.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
carbamate include di-substitued N
Phenylester
MHE-FAS-63bfa48b-7
0.800
MHE-FAS-63bfa48b-8
0.647
MHE-FAS-63bfa48b-6
0.629
MHE-FAS-63bfa48b-19
0.608
MHE-FAS-63bfa48b-3
0.595
MHE-FAS-63bfa48b-4
0.595
MHE-FAS-63bfa48b-5
0.595
MHE-FAS-63bfa48b-2
0.579
MHE-FAS-63bfa48b-18
0.545
MHE-FAS-1425a38d-1
0.531
MHE-FAS-63bfa48b-1
0.526
MHE-FAS-63bfa48b-20
0.512
MHE-FAS-63bfa48b-12
0.506
MHE-FAS-63bfa48b-17
0.494
MHE-FAS-63bfa48b-15
0.488
MHE-FAS-63bfa48b-9
0.487
MHE-FAS-63bfa48b-10
0.476
MHE-FAS-63bfa48b-14
0.475
MHE-FAS-63bfa48b-16
0.474
MHE-FAS-63bfa48b-11
0.468
WIL-UNI-1faa9b10-48
0.229
MAR-TRE-fd17a9b8-57
0.213
KRI-MAR-d2e3ef86-14
0.204
MAR-TRE-e86a56b5-92
0.191
MAR-TRE-85681e92-35
0.188
DAV-IMP-59dd6621-3
0.186
PIF-PI_-040a338f-1
0.184
ALP-POS-fc6c627f-2
0.183
GAB-REV-df64cf17-17
0.182
DAN-PUR-19f24f0c-2
0.181
MAR-TRE-6c5ef77a-69
0.181
MAK-UNK-be3f299e-1
0.180
BEN-DND-7e92b6ca-2
0.179
LON-WEI-5e7d1b3e-26
0.179
LON-WEI-4d77710c-26
0.179
EDJ-MED-edeb0d3a-3
0.179
EDJ-MED-edeb0d3a-1
0.179
BEN-DND-b89db3f2-5
0.179
MAR-TRE-85681e92-55
0.179
WIL-UNI-1faa9b10-43
0.178
MAT-POS-b5746674-79
0.178
GER-UNI-9e096ee1-1
0.178
MAR-TRE-c8530538-54
0.178
ALE-UNK-fca05062-9
0.177
LYN-UNI-7bb260d6-6
0.177
MAR-TRE-8a25d817-37
0.176
ALP-UNI-fe744232-20
0.176
RAF-SAT-b3ff87a1-1
0.176
ALP-POS-ddb41b15-4
0.175
MAT-POS-ea426761-43
0.175
JOH-IMS-d6628593-1
0.174
BEN-DND-7e92b6ca-3
0.173
JON-UIO-56032f80-6
0.173
MAR-TRE-e86a56b5-85
0.173
MAR-TRE-c8530538-65
0.173
MAT-POS-b5746674-76
0.172
ALP-POS-fc6c627f-1
0.172
MAR-TRE-1c920f6f-50
0.172
MAR-TRE-a78003aa-89
0.172
MAR-TRE-ebcc4ad6-36
0.172
TAM-UNI-d1c3dd9f-4
0.171
JOH-IMS-0f19a540-3
0.171
JOH-IMS-7e73aedd-9
0.171
ALP-UNI-fe744232-24
0.171
MAR-TRE-8a25d817-34
0.170
MAK-UNK-0d6072ac-13
0.170
MAR-TRE-a78003aa-63
0.170
MAR-TRE-c8530538-89
0.170
JOR-UNI-61e7b1d5-8
0.170
ALP-POS-fc6c627f-3
0.169
AAR-POS-d2a4d1df-9
0.169
MAR-TRE-f5c2d31c-77
0.169
KTA-UNK-ec872bc6-1
0.168
MAR-TRE-a3327163-14
0.168
MAR-TRE-85681e92-84
0.168
ALP-UNI-fe744232-23
0.168
MAT-POS-ea426761-23
0.167
MAR-TRE-0fda4e82-80
0.167
MAR-TRE-a78003aa-13
0.167
MAR-TRE-fd17a9b8-50
0.167
JAR-IMP-b007c7c2-3
0.165
ALP-POS-19e898d3-2
0.165
MAT-POS-54c4bf04-1
0.165
GAB-REV-df64cf17-1
0.165
BAR-COM-21d20d65-8
0.165
MAT-POS-ea426761-22
0.165
KEI-TRE-fa9ada3e-12
0.165
MAT-POS-b5746674-135
0.165
MAR-TRE-ebcc4ad6-33
0.165
ALP-POS-95f71980-33
0.164
ALP-UNI-fe744232-9
0.164
ROB-UNI-569bc02e-3
0.164
GAB-REV-df64cf17-10
0.164
MAR-TRE-3e4e6814-78
0.163
MAR-TRE-c8530538-53
0.163
MAR-TRE-c8530538-52
0.163
BAR-COM-21d20d65-5
0.163
MAR-TRE-0fda4e82-3
0.163
MAR-TRE-a78003aa-14
0.163
MAR-TRE-14ce9fd6-2
0.163