Molecular Properties | |
SMILES: | CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1CC1C=CC=[SH]1 |
MW: | 358.935 |
Fraction sp3: | 0.71 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 40.62 |
cLogP: | 2.1529 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
Thiocarbonyls
thiols
thiol
Thiocarbonyl_group
THO-SYG-f9b2970d-8
0.462
THO-SYG-f9b2970d-6
0.462
VIR-GIT-7b3d3065-3
0.365
AAR-POS-0daf6b7e-19
0.365
MAK-UNK-3f402c2b-28
0.354
MAK-UNK-8fdbca50-37
0.312
YOI-UNK-a533afbc-5
0.310
YOI-UNK-12211982-5
0.310
YOI-UNK-15f562e8-4
0.301
VIK-SYN-bf9c9ac8-1
0.301
PAU-WEI-c6d65c11-1
0.278
DUN-NEW-f8ce3686-22
0.273
YOI-UNK-a533afbc-4
0.270
YOI-UNK-12211982-4
0.270
SAD-SAT-edc8a235-7
0.267
TAT-ENA-80bfd3e5-10
0.266
JOK-SYG-8934678c-1
0.261
SAD-SAT-29425be4-21
0.261
SAD-SAT-29425be4-6
0.260
SAD-SAT-65574d3f-6
0.256
SAD-SAT-d8079f6f-4
0.254
MAK-UNK-6c8f5f75-2
0.253
LON-WEI-120e5cf5-5
0.253
TAT-ENA-80bfd3e5-13
0.253
AAR-POS-d2a4d1df-30
0.253
NIM-UNI-310206f0-29
0.250
VIK-SYN-9a3d118a-8
0.250
MAK-UNK-6ca90168-11
0.250
DAV-UNK-07f953a2-2
0.248
SAD-SAT-29425be4-13
0.247
NIM-UNI-43fe0159-3
0.247
NIM-UNI-310206f0-25
0.245
YOI-UNK-15f562e8-2
0.244
SAL-INS-1c7a5a55-3
0.243
HAR-NEW-972ef1cc-2
0.242
KAT-UNK-48001bce-1
0.241
KAT-MCD-525c981a-1
0.241
THO-SYG-f9b2970d-7
0.241
NIM-UNI-310206f0-34
0.241
SAL-INS-1c7a5a55-1
0.240
SIM-SYN-7db9eb24-1
0.240
THO-SYG-f9b2970d-4
0.240
SAD-SAT-29425be4-5
0.240
YOI-UNK-a533afbc-6
0.240
YOI-UNK-12211982-6
0.240
MAK-UNK-7c9d1431-17
0.239
MAR-TRE-6a44bbf2-77
0.239
MAK-UNK-d4768348-6
0.239
GIA-UNK-a79af1bc-1
0.239
YOI-UNK-15f562e8-5
0.238
NIM-UNI-310206f0-48
0.238
SAD-SAT-89668ff1-3
0.238
SAD-SAT-29425be4-15
0.237
THO-SYG-f9b2970d-5
0.236
MAR-TRE-6a44bbf2-39
0.236
AAR-POS-d2a4d1df-33
0.236
SAD-SAT-29425be4-19
0.235
SAD-SAT-c989feaa-10
0.235
YOI-UNK-12211982-2
0.234
YOI-UNK-a533afbc-2
0.234
SAD-SAT-c989feaa-4
0.234
MAK-UNK-704ed37c-16
0.234
DAN-MCD-0c04f563-1
0.234
SAD-SAT-29425be4-4
0.234
WAR-XCH-79d12f6e-4
0.233
MAK-UNK-750cfbcc-4
0.233
MAR-TRE-6a44bbf2-66
0.233
NIM-UNI-310206f0-6
0.233
DAN-MCD-f396e45b-1
0.231
DAN-MCD-9cdc9f7f-1
0.231
SAD-SAT-29425be4-8
0.231
HYO-UNK-1dbfcf16-1
0.231
MAK-UNK-750cfbcc-2
0.231
SAD-SAT-29425be4-16
0.231
MAK-UNK-8fdbca50-39
0.231
SAD-SAT-f2e2579e-1
0.230
WAR-XCH-bdd24732-22
0.230
JOE-SYG-2c9a1216-1
0.230
IND-SYN-6c8299e8-1
0.229
SAD-SAT-29425be4-2
0.229
SAD-SAT-c989feaa-9
0.229
NIM-UNI-43fe0159-11
0.228
MAK-UNK-6ca90168-22
0.228
MAK-UNK-7c9d1431-19
0.228
SAD-SAT-29425be4-7
0.228
JON-MCD-47e58de1-1
0.228
THO-SYG-f9b2970d-2
0.228
WAR-XCH-bdd24732-16
0.227
MAK-UNK-95198336-3
0.227
MAK-UNK-8fdbca50-10
0.227
MAK-UNK-6c8f5f75-1
0.227
MAK-UNK-750cfbcc-1
0.227
SAL-INS-1ea6d4ee-4
0.226
DAN-MCD-881986d8-1
0.226
SAD-SAT-29425be4-22
0.226
NIM-UNI-310206f0-11
0.226
DRR-IMP-db50bf6e-4
0.226
PAT-MCD-fb0933e5-1
0.226
JOH-UNI-27ac80fd-28
0.226
MAK-UNK-8fdbca50-6
0.226