Molecular Properties | |
SMILES: | Cc1ccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c(Cc2ccccc2)c1 |
MW: | 389.904 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 54.45 |
cLogP: | 3.46832 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
SAL-INS-1c7a5a55-8
0.750
SAL-INS-1c7a5a55-9
0.620
SAL-INS-1c7a5a55-10
0.477
AAR-POS-0daf6b7e-1
0.472
AAR-POS-0daf6b7e-7
0.466
MAK-UNK-7c9d1431-15
0.461
THO-SYG-98fc3427-8
0.455
MAK-UNK-752736de-1
0.429
AAR-POS-0daf6b7e-8
0.403
THO-SYG-98fc3427-9
0.398
THO-SYG-98fc3427-2
0.397
THO-SYG-98fc3427-10
0.387
THO-SYG-98fc3427-1
0.383
THO-SYG-98fc3427-4
0.359
SAD-SAT-f0a2747f-3
0.358
THO-SYG-98fc3427-5
0.352
THO-SYG-98fc3427-11
0.351
SEL-UNI-49ab05bd-2
0.349
JAN-GHE-4287bd1a-7
0.348
THO-SYG-98fc3427-7
0.333
THO-SYG-98fc3427-6
0.330
JAN-GHE-4287bd1a-8
0.326
MAK-UNK-c74072e5-5
0.306
MAK-UNK-942dcb71-2
0.299
MAK-UNK-752736de-12
0.299
HAN-NEW-5f56c3bc-5
0.298
MAK-UNK-c74072e5-3
0.291
SEL-UNI-8426c22c-1
0.289
MAK-UNK-942dcb71-1
0.287
SAD-SAT-9a6c5cf3-8
0.287
JAR-IMP-ed466bb3-18
0.286
YUN-WES-58b0dbae-4
0.283
FAB-NA_-a0010840-3
0.280
SAD-SAT-d8079f6f-8
0.278
MAK-UNK-752736de-10
0.276
MAK-UNK-752736de-6
0.268
INS-INS-8dbfb37c-1
0.264
TAT-ENA-80bfd3e5-23
0.262
NAU-LAT-f723e322-5
0.260
AAR-POS-d2a4d1df-24
0.259
FAB-NA_-a0010840-1
0.259
MAK-UNK-902cc841-5
0.257
SAD-SAT-d8079f6f-7
0.253
MAK-UNK-3f402c2b-3
0.253
MED-COV-4280ac29-19
0.253
MAK-UNK-987948f6-1
0.250
MAK-UNK-ec98eaf6-7
0.250
MAR-LAB-efb042c5-6
0.250
FAB-NA_-a0010840-2
0.250
MAR-TRE-85681e92-66
0.250
JOH-UNI-a38a7bdd-8
0.248
MAK-UNK-942dcb71-18
0.247
DAV-SYG-f22c749d-8
0.246
JOH-UNI-a38a7bdd-9
0.245
GIA-UNK-d2defdc3-9
0.245
DAN-PUR-3907f623-3
0.244
SEL-UNI-49ab05bd-3
0.244
MAK-UNK-902cc841-6
0.243
MAK-UNK-af83ef51-5
0.242
MAK-UNK-942dcb71-16
0.241
MAK-UNK-752736de-8
0.240
AAR-UNI-c25c2f1e-100
0.239
WIL-UNI-5578df48-11
0.239
MAK-UNK-af83ef51-8
0.239
WAR-XCH-79d12f6e-1
0.239
WAR-XCH-b0339bbe-12
0.239
MAK-UNK-942dcb71-12
0.238
DUN-NEW-f8ce3686-25
0.237
GIA-UNK-7337c2f3-8
0.237
JOH-UNI-a38a7bdd-7
0.236
MAR-LAB-efb042c5-2
0.235
MAK-UNK-10799360-3
0.235
RIC-ARG-a8e88843-4
0.235
DAV-CRI-f4772df7-1
0.235
DAV-SYG-f22c749d-7
0.235
SEL-UNI-49ab05bd-1
0.235
MAK-UNK-752736de-2
0.234
MIC-SGC-657978c3-7
0.234
SAD-SAT-d8079f6f-10
0.234
MAK-UNK-752736de-4
0.233
MAK-UNK-af83ef51-6
0.233
MAK-UNK-af83ef51-7
0.232
JOH-UNI-a38a7bdd-3
0.232
RUB-POS-1325a9ea-21
0.232
MAK-UNK-f983951f-22
0.232
MAK-UNK-df1a028e-4
0.232
GIA-UNK-7337c2f3-7
0.231
MAK-UNK-ec98eaf6-32
0.229
SEL-UNI-cd366922-1
0.229
MIC-SGC-657978c3-1
0.229
DRA-CSI-47e38074-14
0.228
RIT-AID-b8bd8251-1
0.228
MIC-SGC-657978c3-5
0.227
NIR-THE-c331be7a-6
0.227
MAK-UNK-3e0761f8-8
0.226
DRA-CSI-47e38074-2
0.225
DAV-CRI-f4772df7-6
0.225
MAR-TRE-6a44bbf2-50
0.225
MED-COV-4280ac29-8
0.224
DAN-LON-a5fc619e-10
0.224