Molecular Properties | |
SMILES: | N#Cc1nccc(Cc2cccs2)n1 |
MW: | 201.04 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 49.57 |
cLogP: | 2.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-12
0.474
MAK-UNK-ed378e62-28
0.446
MAK-UNK-ed378e62-17
0.397
MAK-UNK-72659d64-4
0.387
MAK-UNK-ed378e62-21
0.387
MAK-UNK-ed378e62-20
0.365
AAR-RCN-37d0aa00-1
0.360
MAK-UNK-ed378e62-22
0.359
MAK-UNK-72659d64-8
0.354
MAK-UNK-ed378e62-18
0.328
MAK-UNK-ed378e62-9
0.327
MAK-UNK-ed378e62-3
0.327
MAK-UNK-ed378e62-1
0.327
MAK-UNK-ed378e62-24
0.303
MAK-UNK-ed378e62-23
0.303
MAK-UNK-ed378e62-25
0.299
MAK-UNK-ed378e62-5
0.298
MAK-UNK-ed378e62-7
0.298
MAK-UNK-ed378e62-34
0.290
MAK-UNK-ed378e62-26
0.288
MAK-UNK-ed378e62-32
0.286
JOO-IND-b2fae8f6-1
0.286
MAK-UNK-72659d64-1
0.281
MAK-UNK-ed378e62-16
0.273
AAR-POS-f650c5f2-3
0.271
MAK-UNK-ed378e62-11
0.270
MAK-UNK-849bee6c-8
0.270
MAK-UNK-72659d64-5
0.269
MAK-UNK-ed378e62-15
0.269
MAK-UNK-ed378e62-30
0.266
MAK-UNK-ed378e62-14
0.258
MAK-UNK-ed378e62-36
0.258
MAK-UNK-ed378e62-13
0.254
MAK-UNK-7732b35b-15
0.250
MAK-UNK-ed378e62-29
0.250
MAK-UNK-10dfa458-21
0.243
MAK-UNK-7732b35b-24
0.242
MAK-UNK-7732b35b-14
0.234
AAR-RCN-98de6bc7-1
0.226
MAR-TRE-dab8f6ea-4
0.226
MAK-UNK-ed378e62-27
0.226
MAR-TRE-a3327163-20
0.220
MAK-UNK-7732b35b-20
0.217
MAK-UNK-7732b35b-28
0.217
MAK-UNK-ed378e62-33
0.215
MAK-UNK-7732b35b-32
0.214
MAK-UNK-849bee6c-13
0.213
MAK-UNK-ed378e62-31
0.212
MAK-UNK-ed378e62-35
0.212
MAR-TRE-0fda4e82-98
0.212
MAR-TRE-1c920f6f-53
0.210
MAK-UNK-72659d64-12
0.209
MAK-UNK-ed378e62-37
0.209
MAK-UNK-849bee6c-6
0.209
MAK-UNK-6435e6c2-2
0.206
SAD-SAT-2fd372d1-1
0.205
MAR-TRE-0fda4e82-63
0.205
AAR-RCN-934be69e-1
0.204
MAK-UNK-7732b35b-25
0.203
JOO-IND-b2fae8f6-2
0.200
MAK-UNK-849bee6c-17
0.200
MAK-UNK-849bee6c-3
0.200
MAK-UNK-849bee6c-15
0.198
WAR-XCH-b6889685-46
0.198
MAR-TRE-f5c2d31c-45
0.195
WAR-XCH-b6889685-22
0.195
LON-WEI-8f408cad-5
0.194
MAK-UNK-10dfa458-2
0.194
AAR-POS-0daf6b7e-17
0.194
MAK-UNK-72659d64-9
0.194
MAK-UNK-7732b35b-17
0.194
MAR-TRE-3e4e6814-85
0.194
MAR-TRE-74c6519b-97
0.193
MAK-UNK-ed378e62-10
0.193
MAR-TRE-a3327163-15
0.193
MAK-UNK-3f402c2b-26
0.192
MAR-TRE-d0525fbf-61
0.192
MAR-TRE-04c86cea-23
0.192
MAR-TRE-4b834d9a-7
0.191
PET-SGC-cb83a00c-1
0.190
JAN-UNI-2e92c4b1-4
0.190
MAR-TRE-0fda4e82-77
0.190
MAR-TRE-04c86cea-29
0.189
AGN-NEW-95323f67-4
0.189
AGN-NEW-9315dc74-6
0.189
JOH-UNI-c7afdb96-3
0.189
MAR-TRE-4b834d9a-40
0.189
MAK-UNK-b1d4dcd7-2
0.188
MAR-TRE-a3327163-31
0.188
MAK-UNK-ed378e62-39
0.188
MAK-UNK-849bee6c-2
0.188
MAK-UNK-516d8086-19
0.187
MAR-TRE-f6f5f473-3
0.186
MAK-UNK-72659d64-16
0.186
MAK-UNK-987948f6-14
0.185
MAR-TRE-6c5ef77a-53
0.184
MAR-TRE-6c5ef77a-14
0.184
MAR-TRE-4b834d9a-47
0.184
MAT-POS-b5746674-84
0.183
ALP-POS-64a710fa-2
0.183