Molecular Properties | |
SMILES: | Cc1ccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c(Cc2c[nH]cn2)c1 |
MW: | 379.869 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.13 |
cLogP: | 2.19142 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
SAL-INS-1c7a5a55-10
0.763
SAL-INS-1c7a5a55-7
0.620
SAL-INS-1c7a5a55-8
0.477
AAR-POS-0daf6b7e-7
0.423
MAK-UNK-7c9d1431-15
0.420
MAK-UNK-752736de-1
0.407
AAR-POS-0daf6b7e-8
0.400
THO-SYG-98fc3427-2
0.395
THO-SYG-98fc3427-8
0.389
AAR-POS-0daf6b7e-1
0.375
THO-SYG-98fc3427-9
0.367
THO-SYG-98fc3427-5
0.364
THO-SYG-98fc3427-4
0.358
THO-SYG-98fc3427-1
0.349
SEL-UNI-49ab05bd-2
0.348
THO-SYG-98fc3427-7
0.345
THO-SYG-98fc3427-10
0.343
THO-SYG-98fc3427-6
0.342
THO-SYG-98fc3427-11
0.324
JAN-GHE-4287bd1a-7
0.305
MAK-UNK-942dcb71-1
0.303
HAN-NEW-5f56c3bc-5
0.287
MAK-UNK-942dcb71-2
0.286
JAN-GHE-4287bd1a-8
0.286
FAB-NA_-a0010840-3
0.281
SEL-UNI-8426c22c-1
0.277
JAR-IMP-ed466bb3-18
0.275
MAK-UNK-c74072e5-5
0.272
FAB-NA_-a0010840-2
0.271
FAB-NA_-a0010840-1
0.271
SEL-UNI-49ab05bd-1
0.265
MAK-UNK-902cc841-5
0.259
MAK-UNK-c74072e5-3
0.259
INS-INS-8dbfb37c-1
0.256
MAK-UNK-752736de-6
0.256
SEL-UNI-49ab05bd-3
0.256
MAK-UNK-902cc841-6
0.245
MAR-TRE-87acfbcc-77
0.240
SAD-SAT-f0a2747f-3
0.239
ALP-POS-25b4df59-2
0.239
SAD-SAT-9a6c5cf3-8
0.236
DAN-PUR-3907f623-3
0.234
MAR-TRE-87acfbcc-99
0.229
BRU-THA-92256091-43
0.229
DAV-SYG-f22c749d-7
0.229
MAR-TRE-aca67d11-14
0.228
NIM-UNI-310206f0-44
0.225
MAR-TRE-4f39ef4a-83
0.224
MAR-TRE-4f39ef4a-54
0.223
MAR-TRE-92684b97-46
0.223
SAL-INS-1c7a5a55-3
0.223
BRU-THA-92256091-24
0.223
DAV-SYG-f22c749d-8
0.222
SAL-INS-1c7a5a55-4
0.219
YUN-WES-58b0dbae-4
0.219
BRU-THA-92256091-3
0.219
BRU-THA-92256091-5
0.219
BRU-THA-92256091-25
0.219
BRU-THA-92256091-33
0.217
MAK-UNK-752736de-10
0.217
BRU-THA-92256091-41
0.214
SAL-INS-1c7a5a55-2
0.214
JUL-TUD-06b2044f-108
0.214
MAK-UNK-942dcb71-12
0.213
ALP-POS-1245c3fa-1
0.213
NIM-UNI-310206f0-15
0.212
LON-WEI-120e5cf5-13
0.212
YOI-UNK-54141b3d-1
0.212
YOI-UNK-a3b34759-1
0.212
KEI-TRE-6cfd789b-4
0.211
THO-SYG-98fc3427-3
0.211
NJA-MAN-00c90aa2-8
0.211
WIL-UNI-354943b6-5
0.211
MAR-TRE-87acfbcc-63
0.211
MAR-TRE-aca67d11-45
0.211
JAG-UCB-a3ef7265-16
0.211
AAR-UNI-c25c2f1e-98
0.210
UNK-CYC-68f84b31-78
0.208
MAR-TRE-4f39ef4a-15
0.208
BEN-BAS-26f6b627-1
0.208
BRU-THA-92256091-68
0.207
WAR-XCH-bdd24732-13
0.207
FRA-BIO-8bf1eac9-13
0.207
MAK-UNK-72659d64-8
0.207
WIL-UNI-354943b6-10
0.206
BRU-THA-92256091-2
0.206
BRU-THA-92256091-9
0.206
BRU-THA-92256091-13
0.206
BRU-THA-92256091-32
0.206
BRU-THA-92256091-42
0.206
NIR-THE-c331be7a-6
0.206
JOH-UNI-a38a7bdd-8
0.205
BRU-THA-92256091-29
0.205
MAK-UNK-72659d64-16
0.205
MAK-UNK-af83ef51-8
0.204
MAR-TRE-aca67d11-15
0.204
JAN-GHE-76def03c-3
0.203
ALP-POS-42f3de95-2
0.203
WIL-UNI-de614146-1
0.203
WIL-UNI-354943b6-13
0.203