Molecular Properties | |
SMILES: | N#Cc1nc(N)ncc1S(=O)(=O)C1CCN(C(=O)CCl)CC1 |
MW: | 343.05 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 130.04 |
cLogP: | -0.07 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
aniline
BEN-DND-76ad4ac9-7
0.403
MAK-UNK-d4768348-6
0.395
MAK-UNK-987948f6-15
0.395
NIR-THE-0d6461ce-6
0.379
VIK-SYN-9a3d118a-8
0.349
MAK-UNK-6c8f5f75-1
0.348
SAD-SAT-f2e2579e-10
0.333
NIR-THE-0d6461ce-7
0.333
MAK-UNK-987948f6-3
0.325
SAD-SAT-f2e2579e-4
0.319
MAR-TRE-6a44bbf2-29
0.317
MAK-UNK-750cfbcc-5
0.315
MAK-UNK-750cfbcc-1
0.309
DRR-IMP-dff87f5e-9
0.309
GIA-UNK-a79af1bc-1
0.309
DRR-IMP-38dce17f-7
0.308
JON-UIO-066ce08b-5
0.308
MAK-UNK-6ca90168-14
0.308
DRR-IMP-11d47bff-1
0.307
MAK-UNK-750cfbcc-3
0.306
MAR-TRE-6a44bbf2-79
0.306
SAD-SAT-d8079f6f-4
0.303
MAK-UNK-10dfa458-40
0.302
SAD-SAT-89668ff1-8
0.300
MAK-UNK-704ed37c-4
0.299
SAD-SAT-89668ff1-3
0.298
VIR-GIT-7b3d3065-2
0.297
AAR-POS-0daf6b7e-9
0.297
DAV-CRI-d1e0885a-3
0.297
KAT-MCD-525c981a-1
0.296
KAT-UNK-48001bce-1
0.296
KAT-UNK-c8a6cb16-1
0.295
MAK-UNK-704ed37c-2
0.295
SAD-SAT-bc31ec01-10
0.295
MAK-UNK-6ca90168-22
0.294
MAR-TRE-6a44bbf2-7
0.294
AAR-POS-d2a4d1df-37
0.294
MAK-UNK-c97f7c8f-1
0.294
DUN-NEW-f8ce3686-3
0.292
LON-WEI-120e5cf5-11
0.291
MAR-TRE-6a44bbf2-1
0.290
NIR-THE-0d6461ce-4
0.290
DAV-CRI-d1e0885a-2
0.290
SAD-SAT-9a6c5cf3-10
0.290
MAK-UNK-6ca90168-17
0.290
BEN-DND-76ad4ac9-4
0.289
BRU-LEF-ae0885ba-1
0.289
PAU-UNI-52c0427f-1
0.289
DAR-DIA-fb20be43-4
0.289
MAR-TRE-6a44bbf2-66
0.287
MAK-UNK-750cfbcc-4
0.287
MAK-UNK-c97f7c8f-2
0.287
WAR-XCH-72a8c209-6
0.287
DUN-NEW-f8ce3686-25
0.286
SAD-SAT-f2e2579e-5
0.286
SAD-SAT-3a925b8b-4
0.286
WAR-XCH-79d12f6e-4
0.286
MED-COV-4280ac29-35
0.286
SAD-SAT-5b1897b2-8
0.284
MAK-UNK-212f693e-32
0.284
MAK-UNK-d4768348-5
0.284
JIA-UNI-93b03cae-1
0.284
YOI-UNK-15f562e8-2
0.284
SAD-SAT-3a925b8b-3
0.284
STU-CHA-814c6126-1
0.283
NIM-UNI-310206f0-70
0.281
MAK-UNK-212f693e-13
0.280
MAK-UNK-6c8f5f75-2
0.280
WAR-XCH-79d12f6e-5
0.280
MAK-UNK-849bee6c-7
0.280
SAD-SAT-9a6c5cf3-5
0.280
SAD-SAT-5b1897b2-1
0.278
WAR-XCH-e55cba98-7
0.278
STU-CHA-09bcc2f6-1
0.278
SAD-SAT-9a6c5cf3-7
0.278
LON-WEI-120e5cf5-17
0.278
LON-WEI-120e5cf5-1
0.278
SAD-SAT-edc8a235-7
0.278
AAR-POS-5507155c-2
0.278
SAD-SAT-edc8a235-3
0.278
AAR-POS-f650c5f2-4
0.278
MAK-UNK-69bf97dd-10
0.277
LON-WEI-120e5cf5-5
0.277
SAD-SAT-d8079f6f-5
0.277
NIR-THE-0d6461ce-5
0.277
MAR-TRE-6a44bbf2-87
0.276
VIK-SYN-9a3d118a-4
0.276
VIK-SYN-bf9c9ac8-7
0.276
SEL-UNI-49ab05bd-4
0.276
MAK-UNK-6ca90168-11
0.275
MAK-UNK-704ed37c-6
0.275
MAK-UNK-849bee6c-3
0.275
MAK-UNK-750cfbcc-2
0.274
SAD-SAT-6b5a89f0-3
0.274
WAR-XCH-b0339bbe-18
0.274
SAD-SAT-bc31ec01-3
0.274
MAK-UNK-af83ef51-32
0.274
SAD-SAT-9a6c5cf3-4
0.274
JON-UNI-2a110085-3
0.273
MAK-UNK-7c9d1431-25
0.273