Molecular Properties | |
SMILES: | Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1 |
MW: | 299.04 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 54.45 |
cLogP: | 1.88 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-101778 |
Enamine SCR: | Z1347377662 |
Mcule: | MCULE-5936006256 |
MolPort: | MolPort-007-994-643 |
Activated double bonds (3)
Filter88_ene_sulfone
MAK-UNK-752736de-1
0.644
AAR-POS-0daf6b7e-1
0.632
AAR-POS-0daf6b7e-7
0.621
AAR-POS-0daf6b7e-8
0.557
THO-SYG-98fc3427-2
0.548
THO-SYG-98fc3427-1
0.523
THO-SYG-98fc3427-8
0.513
THO-SYG-98fc3427-9
0.500
THO-SYG-98fc3427-10
0.487
THO-SYG-98fc3427-11
0.475
SAL-INS-1c7a5a55-7
0.461
THO-SYG-98fc3427-4
0.443
THO-SYG-98fc3427-5
0.433
THO-SYG-98fc3427-7
0.424
SAL-INS-1c7a5a55-9
0.420
THO-SYG-98fc3427-6
0.419
MAK-UNK-942dcb71-2
0.408
JAN-GHE-4287bd1a-7
0.408
JAN-GHE-4287bd1a-8
0.397
SAL-INS-1c7a5a55-8
0.395
SEL-UNI-49ab05bd-2
0.392
MAK-UNK-c74072e5-5
0.391
MAK-UNK-c74072e5-3
0.387
SAD-SAT-9a6c5cf3-8
0.364
SAL-INS-1c7a5a55-10
0.360
MAK-UNK-752736de-6
0.358
MAK-UNK-942dcb71-1
0.356
JAR-IMP-ed466bb3-18
0.356
MED-COV-4280ac29-4
0.350
NIR-THE-0d6461ce-11
0.333
HAN-NEW-5f56c3bc-5
0.326
NIR-THE-0d6461ce-12
0.321
NIR-THE-0d6461ce-10
0.321
SEL-UNI-8426c22c-1
0.318
SAD-SAT-f0a2747f-3
0.311
MAK-UNK-10799360-34
0.307
AAR-POS-d2a4d1df-24
0.306
MAK-UNK-942dcb71-11
0.304
FAB-NA_-a0010840-1
0.304
NIR-THE-0d6461ce-1
0.303
DAN-PUR-3907f623-3
0.303
SAD-SAT-5b1897b2-4
0.296
SAD-SAT-d8079f6f-8
0.295
MAK-UNK-902cc841-5
0.293
FAB-NA_-a0010840-3
0.290
MAK-UNK-af83ef51-6
0.289
SAD-SAT-d8079f6f-7
0.286
SEL-UNI-49ab05bd-3
0.282
MAK-UNK-942dcb71-12
0.282
SAD-SAT-d8079f6f-10
0.281
NIR-THE-c331be7a-6
0.277
MAK-UNK-902cc841-6
0.277
SAD-SAT-29425be4-20
0.274
MAK-UNK-752736de-4
0.273
MAK-UNK-752736de-8
0.270
AAR-UNI-c25c2f1e-89
0.269
FAB-NA_-a0010840-2
0.267
UNK-UNK-2ede4078-7
0.266
MAK-UNK-ec98eaf6-32
0.265
MAK-UNK-752736de-3
0.264
MAK-UNK-3f402c2b-3
0.263
MAK-UNK-af83ef51-8
0.263
MIH-UNI-e573136b-7
0.262
MAK-UNK-ec98eaf6-42
0.261
YUN-WES-58b0dbae-4
0.261
GIA-UNK-7337c2f3-8
0.259
TAT-ENA-80bfd3e5-23
0.257
MED-COV-4280ac29-23
0.256
MAK-UNK-752736de-2
0.256
WAR-XCH-b6889685-58
0.256
STU-CHA-07310c75-1
0.256
MED-COV-4280ac29-7
0.253
MAK-UNK-af83ef51-7
0.253
MAK-UNK-af83ef51-3
0.253
MAK-UNK-af83ef51-5
0.250
DAV-SYG-f22c749d-7
0.250
SAD-SAT-c989feaa-8
0.250
MAK-UNK-af83ef51-11
0.247
MAK-UNK-af83ef51-13
0.247
SEL-UNI-cd366922-9
0.244
WAR-XCH-b6889685-6
0.244
KEI-TRE-d5e2018a-29
0.244
MAK-UNK-752736de-12
0.243
MAK-UNK-10799360-5
0.242
WAL-WAB-df110a02-2
0.241
MAK-UNK-af83ef51-9
0.241
DAV-CRI-f4772df7-1
0.241
JOK-SYG-18591e8f-1
0.241
INS-INS-8dbfb37c-1
0.239
KEI-TRE-d5e2018a-24
0.239
SIM-SYN-f15aaa3a-2
0.239
AMI-SHA-46bf737e-1
0.237
MAK-UNK-ec98eaf6-9
0.236
STU-CHA-0be58c98-1
0.236
MAK-UNK-752736de-10
0.235
MAK-UNK-c8c8f7e2-5
0.235
DAV-SYG-f22c749d-8
0.233
SAD-SAT-29425be4-18
0.232
MAK-UNK-3e0761f8-8
0.232
JAG-UCB-cedd89ab-5
0.231