Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2ccccc2C(C2CCCS2)C1 |
MW: | 295.835 |
Fraction sp3: | 0.53 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 20.31 |
cLogP: | 3.2468 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-14
0.446
MIH-UNI-e573136b-9
0.425
NIR-THE-c331be7a-4
0.425
DAR-DIA-caba39e3-1
0.425
NIR-THE-c331be7a-2
0.415
NIR-THE-c331be7a-1
0.407
NIR-THE-c331be7a-6
0.407
DAR-DIA-caba39e3-2
0.405
IND-SYN-6c8299e8-3
0.402
JAR-IMP-ed466bb3-2
0.379
DAR-DIA-caba39e3-7
0.371
DAR-DIA-caba39e3-8
0.371
DAR-DIA-caba39e3-9
0.370
NIR-THE-c331be7a-5
0.366
DAV-CRI-3fe943ba-1
0.366
MIH-UNI-e573136b-12
0.366
TAM-UNI-d1c3dd9f-3
0.366
TAM-UNI-d1c3dd9f-10
0.362
DAV-CRI-3fe943ba-2
0.362
DAR-DIA-caba39e3-3
0.358
TAM-UNI-d1c3dd9f-8
0.344
THO-SYG-4e0386bb-1
0.337
DAR-DIA-caba39e3-10
0.337
MAT-POS-7174c657-3
0.333
TAM-UNI-d1c3dd9f-7
0.330
MIH-UNI-e573136b-15
0.330
DAR-DIA-caba39e3-4
0.318
DAR-DIA-caba39e3-11
0.318
DAR-DIA-caba39e3-12
0.318
DAR-DIA-caba39e3-5
0.314
DAR-DIA-caba39e3-6
0.314
MIH-UNI-e573136b-10
0.314
TAM-UNI-d1c3dd9f-11
0.311
JAR-IMP-ed466bb3-8
0.310
DAR-DIA-caba39e3-13
0.308
NIR-THE-c331be7a-3
0.306
HEI-REL-0c990a45-6
0.303
MAK-UNK-702fb7d3-12
0.298
MAK-UNK-702fb7d3-13
0.291
MAK-UNK-702fb7d3-14
0.290
DAV-CRI-1c77f7a9-2
0.289
SAD-SAT-edc8a235-3
0.286
DAV-CRI-1c77f7a9-3
0.283
REN-UFA-aaaed2d6-1
0.283
JAN-LUN-04aedcc0-6
0.282
MAK-UNK-6ca90168-11
0.282
MAK-UNK-af83ef51-2
0.280
DAV-CRI-1c77f7a9-8
0.280
SAL-INS-1c7a5a55-1
0.278
REN-UFA-aaaed2d6-3
0.278
GIA-UNK-20b63697-3
0.276
SAL-INS-1c7a5a55-5
0.276
DAV-CRI-1c77f7a9-1
0.276
AHN-SAT-de2502ba-14
0.275
SAD-SAT-65574d3f-1
0.275
MAK-UNK-10dfa458-39
0.274
MIH-UNI-e573136b-8
0.272
LON-WEI-120e5cf5-15
0.272
MAR-TRE-6a44bbf2-86
0.272
GIA-UNK-20b63697-6
0.271
DAV-CRI-1c77f7a9-5
0.270
IND-SYN-6c8299e8-1
0.270
DUN-NEW-f8ce3686-3
0.270
LON-WEI-120e5cf5-5
0.268
AAR-POS-d2a4d1df-30
0.267
TAT-ENA-80bfd3e5-13
0.267
MAK-UNK-987948f6-2
0.267
DOU-UNK-b5326f8f-14
0.265
MIH-UNI-e573136b-13
0.265
DAV-CRI-1c77f7a9-6
0.265
SAD-SAT-6b5a89f0-3
0.264
JAR-IMP-ed466bb3-7
0.263
REN-UFA-aaaed2d6-4
0.263
GIA-UNK-7337c2f3-1
0.262
GIA-UNK-20b63697-2
0.261
GIA-UNK-20b63697-5
0.261
REN-UFA-aaaed2d6-5
0.260
STU-CHA-83dacf15-1
0.260
THO-SYG-4e0386bb-2
0.260
DAV-CRI-1c77f7a9-7
0.260
JAR-IMP-ed466bb3-12
0.259
AAR-POS-0daf6b7e-5
0.259
GIA-UNK-c4371e97-2
0.259
LON-WEI-120e5cf5-21
0.258
REN-UFA-aaaed2d6-2
0.258
DAV-CRI-1c77f7a9-4
0.257
AAR-POS-0daf6b7e-16
0.256
MAK-UNK-212f693e-10
0.256
MAK-UNK-212f693e-13
0.256
MAR-TRE-6a44bbf2-9
0.256
MAK-UNK-6ca90168-22
0.256
MED-COV-dea4df70-1
0.256
MAK-UNK-3d7e3904-3
0.256
SAL-INS-1c7a5a55-11
0.255
PAU-WEI-b9b69149-4
0.255
SAL-INS-1c7a5a55-2
0.255
JAR-IMP-ed466bb3-6
0.255
MAK-UNK-702fb7d3-10
0.254
MAK-UNK-6c8f5f75-2
0.253
AHN-SAT-de2502ba-7
0.253