Molecular Properties | |
SMILES: | N#Cc1nnc(C2=CC=CS(=N)(CC(=O)Cl)=C2)[nH]1 |
MW: | 281.01 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 106.28 |
cLogP: | 1.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
carbonyl_halide
hyperval_sulfur
acid halide
Thiocarbonyl group
Acyl halides and analogues
Filter2_acyl_phosphyl_sulfonyl_halide
Filter84_nitrogen_mustard
Filter90_N_double_bond_S
acyl halide
acid halide
Thiocarbonyl_group
AAR-POS-d2a4d1df-26
MAK-UNK-7732b35b-3
0.222
MAK-UNK-72659d64-2
0.179
MAR-TRE-a3327163-37
0.179
ABI-SAT-897caeb8-2
0.176
ABI-UNK-6fa18b51-1
0.175
DRR-IMP-dff87f5e-9
0.174
MAK-UNK-7732b35b-7
0.174
AAR-POS-f650c5f2-2
0.172
MAK-UNK-6c8f5f75-5
0.171
ABI-SAT-897caeb8-5
0.171
MAK-UNK-f983951f-23
0.169
MAK-UNK-9955b1f3-10
0.169
MAK-UNK-9955b1f3-11
0.169
MAR-TRE-92684b97-59
0.169
MAR-TRE-87acfbcc-42
0.169
MAR-TRE-14ce9fd6-48
0.168
UNK-CYC-68f84b31-56
0.167
MAK-UNK-7732b35b-12
0.167
TRY-UNI-1fd04853-8
0.167
MAK-UNK-7732b35b-1
0.167
WAR-XCH-eb7b662f-2
0.167
SAD-SAT-89668ff1-5
0.167
MAK-UNK-10dfa458-38
0.167
MAR-TRE-0fda4e82-14
0.167
MAR-TRE-6a44bbf2-7
0.167
NEE-PAC-882c416c-1
0.167
AAR-POS-d2a4d1df-37
0.167
SAD-SAT-89668ff1-9
0.165
ABI-SAT-4d06482b-4
0.165
MAR-TRE-1c920f6f-39
0.165
MAK-UNK-d4768348-2
0.165
ASH-UNK-e28bb067-9
0.164
ABI-SAT-96764fe8-1
0.163
MAK-UNK-72659d64-13
0.163
MAR-TRE-6c5ef77a-31
0.163
MAK-UNK-72659d64-11
0.163
MAR-TRE-14ce9fd6-65
0.163
DAR-DIA-842b4336-19
0.162
ABI-SAT-a53b70f8-3
0.162
SAD-SAT-f2e2579e-10
0.162
NIM-UNI-0ea3b7bf-3
0.162
MAK-UNK-9955b1f3-13
0.161
UNK-CYC-68f84b31-21
0.161
MAR-TRE-6c5ef77a-77
0.160
MAK-UNK-7732b35b-29
0.160
MAK-UNK-72659d64-6
0.160
UNK-CYC-68f84b31-69
0.160
MAK-UNK-7732b35b-13
0.160
DAR-DIA-842b4336-20
0.160
MAK-UNK-987948f6-7
0.160
MAK-UNK-c74072e5-6
0.159
MAR-TRE-14ce9fd6-4
0.159
SAD-SAT-3a925b8b-7
0.159
UNK-CYC-68f84b31-23
0.159
YOI-UNK-4c10088f-2
0.159
MAK-UNK-6ca90168-29
0.159
MAR-TRE-14ce9fd6-52
0.159
WAR-XCH-72a8c209-1
0.158
MAK-UNK-72659d64-10
0.158
MAR-TRE-14ce9fd6-15
0.158
ABI-SAT-897caeb8-4
0.158
SAD-SAT-6b5a89f0-3
0.158
MAR-TRE-87acfbcc-10
0.157
SWA-SYN-6423ea73-7
0.157
MAR-TRE-6a44bbf2-29
0.157
SWA-SYN-d2e6fa14-7
0.157
MAK-UNK-7732b35b-9
0.157
MAK-UNK-7732b35b-5
0.157
MAR-TRE-14ce9fd6-83
0.157
MAK-UNK-7732b35b-32
0.157
MAR-TRE-0fda4e82-30
0.157
DAR-DIA-bd041b9b-28
0.156
MAK-UNK-7732b35b-11
0.156
MAK-UNK-72659d64-3
0.156
MAR-TRE-14ce9fd6-62
0.156
MAR-TRE-0fda4e82-11
0.156
DAV-CRI-d1e0885a-1
0.156
MAT-POS-b5746674-125
0.156
SAD-SAT-f2e2579e-4
0.155
MAK-UNK-987948f6-3
0.155
DRR-IMP-38dce17f-7
0.155
MAK-UNK-6ca90168-14
0.155
MAR-TRE-87acfbcc-11
0.155
MAR-TRE-1c920f6f-88
0.155
NIM-UNI-310206f0-67
0.155
SAD-SAT-89668ff1-4
0.155
MAR-TRE-8190bb11-60
0.154
MAR-TRE-0fda4e82-77
0.154
MAR-TRE-0fda4e82-81
0.154
MAK-UNK-72659d64-14
0.154
UNK-CYC-68f84b31-86
0.154
MAK-UNK-72659d64-7
0.154
MAR-TRE-a3327163-75
0.154
NIM-UNI-05f93fcc-17
0.153
DAR-DIA-fb20be43-3
0.153
MAR-TRE-87acfbcc-68
0.153
MAK-UNK-d4768348-4
0.153
COM-UCB-1ef4e90e-20
0.152
MAR-TRE-87acfbcc-53
0.152
DAR-DIA-23aa0b97-7
0.152