Molecular Properties | |
SMILES: | O=C(CCl)N1CCN2c3cc(F)ccc3SC2C1 |
MW: | 286.03 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 23.55 |
cLogP: | 2.14 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SAD-SAT-c989feaa-1
0.356
BEN-DND-76ad4ac9-3
0.346
DRR-IMP-38dce17f-2
0.342
JON-MCD-47e58de1-1
0.326
MAR-TRE-6a44bbf2-3
0.325
MAR-TRE-6a44bbf2-39
0.316
AAR-POS-d2a4d1df-33
0.316
KAT-UNK-b2a0d5b1-1
0.309
BEN-DND-03406596-10
0.308
MAR-TRE-6a44bbf2-18
0.308
AAR-POS-d2a4d1df-23
0.308
LON-WEI-8f408cad-4
0.308
MAT-POS-162a9720-4
0.301
BEN-DND-76ad4ac9-4
0.300
SAD-SAT-c989feaa-8
0.300
DAN-LON-a5fc619e-1
0.298
DRR-IMP-db50bf6e-1
0.297
CHR-MCD-2f2b3cc8-1
0.297
BEN-DND-76ad4ac9-7
0.296
MAR-TRE-6a44bbf2-47
0.296
SAD-SAT-5b1897b2-10
0.293
SAD-SAT-5b1897b2-5
0.293
SAD-SAT-c989feaa-10
0.292
DAN-MCD-c163c0bb-1
0.292
JOH-UNI-27ac80fd-35
0.291
DAN-LON-a5fc619e-3
0.289
JOH-UNI-0e1753c1-5
0.289
BEN-DND-76ad4ac9-10
0.287
BEN-DND-03406596-6
0.287
MED-COV-4280ac29-38
0.287
DAN-LON-a5fc619e-9
0.286
STU-CHA-0be58c98-1
0.286
DAN-LON-a5fc619e-6
0.286
JOH-UNI-27ac80fd-28
0.286
JOE-SYG-2c9a1216-1
0.286
DAR-DIA-caba39e3-1
0.284
DAN-LON-a5fc619e-7
0.283
BEN-DND-76ad4ac9-14
0.282
GIA-UNK-7337c2f3-5
0.282
BEN-DND-03406596-3
0.282
DRR-IMP-dff87f5e-1
0.282
MAR-TRE-6a44bbf2-58
0.282
KAY-MCD-d0fe5261-1
0.282
SAD-SAT-c989feaa-3
0.281
SAD-SAT-c989feaa-4
0.279
MAC-MCD-4707377b-1
0.279
AAR-POS-d2a4d1df-32
0.278
LON-WEI-8f408cad-2
0.278
MAR-TRE-6a44bbf2-4
0.278
SAD-SAT-581007d4-1
0.278
SAD-SAT-65574d3f-6
0.278
SAD-SAT-c989feaa-5
0.278
GIA-UNK-7337c2f3-4
0.277
DUN-NEW-f8ce3686-22
0.277
BOG-INS-16021dc0-1
0.277
JOH-UNI-27ac80fd-25
0.276
KAI-MCD-cb49037b-1
0.275
HYO-UNK-1819783d-1
0.274
GIA-UNK-4de5abb1-4
0.273
SAD-SAT-5b1897b2-3
0.273
BEN-DND-76ad4ac9-8
0.272
SAD-SAT-c989feaa-2
0.271
NIM-UNI-310206f0-1
0.271
PAT-MCD-fb0933e5-1
0.271
TAT-ENA-80bfd3e5-10
0.270
NIM-UNI-310206f0-54
0.269
MAR-TRE-6a44bbf2-32
0.268
AHN-SAT-de2502ba-15
0.268
ABB-MCD-f8003a30-1
0.268
MAK-UNK-7c9d1431-10
0.268
SAD-SAT-c989feaa-9
0.268
IND-SYN-6c8299e8-2
0.267
NIM-UNI-310206f0-17
0.267
JOH-UNI-0e1753c1-3
0.266
HYO-UNK-49a60884-1
0.266
MED-COV-4280ac29-15
0.266
NIM-UNI-310206f0-6
0.266
AAR-POS-d2a4d1df-35
0.266
UNK-UNK-2ede4078-67
0.264
MIK-MCD-8542a490-1
0.263
AVI-UNI-70b60925-1
0.263
AAR-POS-d2a4d1df-24
0.263
AAR-POS-0daf6b7e-16
0.260
BEN-DND-76ad4ac9-6
0.259
AHN-SAT-02ef6d10-10
0.259
BEN-DND-03406596-8
0.259
NIM-UNI-310206f0-3
0.259
DAN-LON-a5fc619e-4
0.258
SAL-INS-1c7a5a55-11
0.258
STE-KUL-2e0d2e88-5
0.258
HYO-UNK-1dbfcf16-1
0.258
SAD-SAT-6b5a89f0-2
0.258
SAD-SAT-65574d3f-9
0.256
DRR-IMP-38dce17f-1
0.256
AAR-POS-d2a4d1df-34
0.256
MAR-TRE-6a44bbf2-8
0.256
DRR-IMP-dff87f5e-5
0.256
BEN-DND-76ad4ac9-12
0.256
BEN-DND-03406596-2
0.256
THO-SYG-f9b2970d-2
0.255