Molecular Properties | |
SMILES: | CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O |
MW: | 357.04 |
Fraction sp3: | 0.06 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 102.48 |
cLogP: | 0.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
dyes5A(27)
MAR-TRE-85681e92-63
0.304
MAR-TRE-8190bb11-30
0.269
MAR-TRE-1c920f6f-48
0.253
MAR-TRE-f6f5f473-83
0.250
SAD-SAT-5b1897b2-3
0.241
MAR-TRE-74c6519b-58
0.240
HAO-BIO-c9aafde3-8
0.226
MAK-UNK-9e4a73aa-17
0.225
SAN-PRI-c9355cc8-1
0.218
MAR-TRE-c8530538-96
0.216
MAR-TRE-74c6519b-36
0.216
MAR-TRE-c8530538-59
0.212
NJA-MAN-00c90aa2-63
0.211
MAT-POS-b5746674-99
0.209
GER-UNI-cfb91824-1
0.206
MAK-UNK-1bb0b7ee-6
0.203
NJA-MAN-b8640440-9
0.198
NJA-MAN-00c90aa2-47
0.194
MAR-TRE-f6f5f473-27
0.191
MAK-UNK-9e4a73aa-36
0.190
SAD-SAT-f0a2747f-4
0.190
AAR-UNI-c25c2f1e-54
0.190
NJA-MAN-b9fb953f-6
0.190
MAR-TRE-b77b7921-44
0.187
RAI-NOV-c18e0037-7
0.187
THO-SYG-cc9e9a11-2
0.186
MAK-UNK-9e4a73aa-14
0.186
LON-WEI-4d77710c-49
0.186
LON-WEI-5e7d1b3e-49
0.186
WIL-LEE-364b6ea8-10
0.186
WIL-UNI-d4749f31-27
0.185
NJA-MAN-00c90aa2-9
0.185
MAT-POS-af71705c-1
0.184
MAR-TRE-74c6519b-89
0.183
MAR-TRE-9c797165-27
0.182
RAL-THA-9041a04d-1
0.181
MAR-TRE-b77b7921-94
0.181
MAR-TRE-4b834d9a-32
0.181
NJA-MAN-b8640440-25
0.181
NJA-MAN-b8640440-14
0.181
MAR-TRE-3e4e6814-55
0.180
NJA-MAN-00c90aa2-35
0.179
MAR-TRE-c8530538-47
0.179
AAR-POS-0daf6b7e-37
0.179
MAR-SOS-82e3a7c7-6
0.179
MAR-SOS-c7881798-6
0.179
MAR-TRE-d0525fbf-96
0.178
MAR-TRE-3e4e6814-93
0.177
NJA-MAN-00c90aa2-53
0.177
MAR-TRE-3e4e6814-30
0.177
NJA-MAN-b8640440-12
0.176
LON-WEI-b2874fec-6
0.176
MAR-TRE-04c86cea-68
0.176
NJA-MAN-00c90aa2-18
0.176
MAR-TRE-85681e92-96
0.176
MAT-POS-ea426761-84
0.175
MAR-TRE-b77b7921-15
0.175
THO-SYG-cc9e9a11-6
0.175
NJA-MAN-b9fb953f-4
0.175
NJA-MAN-b8640440-26
0.175
NJA-MAN-b8640440-47
0.175
NJA-MAN-00c90aa2-21
0.174
MAR-TRE-0fda4e82-27
0.174
ALP-POS-a577c8a2-2
0.174
NJA-MAN-b8640440-41
0.173
TRI-UNI-97428359-1
0.173
NJA-MAN-b8640440-21
0.173
NJA-MAN-b8640440-45
0.173
NJA-MAN-b8640440-7
0.173
NJA-MAN-b8640440-34
0.173
NJA-MAN-b8640440-39
0.173
MAR-TRE-f6f5f473-35
0.173
NJA-MAN-00c90aa2-59
0.173
ROM-UNK-ef52a3c9-1
0.172
MAK-UNK-9e4a73aa-11
0.172
AND-WAB-6ed53ced-1
0.172
MAK-UNK-9e4a73aa-30
0.171
NJA-MAN-b8640440-19
0.171
NJA-MAN-00c90aa2-30
0.171
NJA-MAN-b8640440-51
0.171
MAR-TRE-3e4e6814-95
0.171
MAR-TRE-b77b7921-100
0.171
NJA-MAN-00c90aa2-55
0.171
MAK-UNK-9e4a73aa-10
0.170
NJA-MAN-b8640440-46
0.170
MAK-UNK-9e4a73aa-35
0.170
MAR-TRE-3e4e6814-41
0.170
NJA-MAN-b8640440-38
0.170
NJA-MAN-b8640440-18
0.170
NJA-MAN-b8640440-17
0.170
NJA-MAN-b8640440-24
0.170
NJA-MAN-b8640440-28
0.170
RAI-NOV-c18e0037-5
0.170
NJA-MAN-00c90aa2-64
0.170
NJA-MAN-00c90aa2-65
0.170
RAI-NOV-c18e0037-1
0.168
NJA-MAN-00c90aa2-19
0.168
NJA-MAN-b8640440-20
0.168
NJA-MAN-b8640440-30
0.168
MAR-TRE-f6f5f473-4
0.168