Molecular Properties | |
SMILES: | N#Cc1nccc(Oc2cccs2)n1 |
MW: | 203.02 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 58.8 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-23
0.509
MAK-UNK-ed378e62-13
0.474
MAK-UNK-ed378e62-5
0.451
MAK-UNK-ed378e62-30
0.446
MAK-UNK-ed378e62-17
0.397
MAK-UNK-ed378e62-22
0.381
MAK-UNK-7732b35b-20
0.377
MAK-UNK-ed378e62-19
0.365
MAK-UNK-ed378e62-21
0.365
AAR-RCN-37d0aa00-1
0.333
MAK-UNK-ed378e62-1
0.327
MAK-UNK-ed378e62-3
0.327
MAK-UNK-849bee6c-13
0.326
MAK-UNK-ed378e62-18
0.306
MAK-UNK-ed378e62-9
0.304
MAK-UNK-ed378e62-25
0.299
MAK-UNK-ed378e62-7
0.298
MAK-UNK-ed378e62-26
0.288
MAK-UNK-ed378e62-15
0.288
MAK-UNK-ed378e62-32
0.286
MAK-UNK-ed378e62-24
0.284
MAK-UNK-ed378e62-36
0.277
AAR-POS-f650c5f2-3
0.271
MAK-UNK-ed378e62-34
0.270
MAK-UNK-ed378e62-11
0.270
JOO-IND-b2fae8f6-1
0.268
MAK-UNK-ed378e62-28
0.266
MAK-UNK-72659d64-4
0.265
MAK-UNK-72659d64-1
0.262
AAR-RCN-748c104b-1
0.259
MAK-UNK-ed378e62-14
0.258
MAK-UNK-ed378e62-12
0.254
MAK-UNK-ed378e62-16
0.254
MAK-UNK-7732b35b-15
0.250
MAK-UNK-72659d64-5
0.250
MAK-UNK-72659d64-8
0.239
MAK-UNK-7732b35b-14
0.234
MAK-UNK-7732b35b-32
0.232
MAK-UNK-ed378e62-31
0.231
MAK-UNK-7732b35b-24
0.224
IND-SYN-64980207-1
0.221
IND-SYN-6c8299e8-11
0.221
MAK-UNK-7732b35b-28
0.217
MAK-UNK-849bee6c-15
0.211
MAK-UNK-ed378e62-37
0.209
MAK-UNK-849bee6c-6
0.209
MAK-UNK-987948f6-14
0.208
MAK-UNK-ed378e62-27
0.206
MAR-TRE-a3327163-20
0.205
MAR-TRE-0fda4e82-63
0.205
AAR-RCN-934be69e-1
0.204
AAR-RCN-98de6bc7-1
0.204
AGN-NEW-95323f67-4
0.202
AGN-NEW-9315dc74-6
0.202
MAK-UNK-849bee6c-8
0.202
MAK-UNK-849bee6c-17
0.200
MAK-UNK-849bee6c-3
0.200
JOO-IND-b2fae8f6-2
0.200
MAR-TRE-0fda4e82-98
0.198
MAR-TRE-0fda4e82-62
0.197
MAK-UNK-ed378e62-33
0.197
WAR-XCH-b6889685-22
0.195
MAK-UNK-ed378e62-35
0.194
MAK-UNK-ed378e62-29
0.194
MAK-UNK-7732b35b-17
0.194
ABI-SAT-ddc50085-4
0.194
MAK-UNK-ed378e62-6
0.193
AAR-RCN-9c8a34f0-1
0.193
MAR-TRE-a3327163-15
0.193
MAK-UNK-ed378e62-40
0.190
ABI-SAT-aa268ad7-7
0.188
MAR-TRE-6c5ef77a-40
0.188
RAJ-NOV-842d5654-3
0.188
MAK-UNK-849bee6c-2
0.188
MAK-UNK-7732b35b-21
0.186
MAR-TRE-a3327163-35
0.183
MAR-TRE-0fda4e82-38
0.183
MAK-UNK-ed378e62-2
0.182
MAK-UNK-ed378e62-4
0.182
AAR-RCN-ec065b93-1
0.182
AAR-RCN-8752a6eb-1
0.182
MAR-TRE-a3327163-61
0.181
MAR-TRE-1c920f6f-53
0.181
MAK-UNK-b1d4dcd7-3
0.179
MAK-UNK-ca11b4f7-4
0.179
MAR-TRE-6c5ef77a-22
0.176
MAK-UNK-9955b1f3-17
0.176
MAK-UNK-10dfa458-21
0.176
MAK-UNK-b1d4dcd7-2
0.175
LON-WEI-5e7d1b3e-70
0.175
LON-WEI-4d77710c-70
0.175
MAR-TRE-6c5ef77a-65
0.175
JOH-UNI-c7afdb96-3
0.173
MAR-TRE-6c5ef77a-67
0.172
MAK-UNK-ed378e62-8
0.172
MAK-UNK-ed378e62-10
0.172
MAK-UNK-72659d64-13
0.171
JOH-UNI-6fc75a7c-1
0.171
MAR-TRE-6c5ef77a-14
0.170
MAK-UNK-ed378e62-42
0.169