Molecular Properties | |
SMILES: | C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCl |
MW: | 268.04 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 33.2 |
cLogP: | 3.05 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-a3327163-16
0.380
MAK-UNK-7c9d1431-25
0.351
MAR-TRE-6a44bbf2-53
0.351
AAR-POS-d2a4d1df-30
0.351
TAT-ENA-80bfd3e5-13
0.351
MAK-UNK-3f402c2b-8
0.342
WIL-UNI-2a57d06c-11
0.333
WIL-UNI-2a57d06c-39
0.318
MAR-TRE-6a44bbf2-71
0.316
JOO-IND-b13e14cc-2
0.309
IND-SYN-6c8299e8-3
0.302
MAR-TRE-1c920f6f-99
0.299
LON-WEI-5e7d1b3e-30
0.297
LON-WEI-4d77710c-30
0.297
WIL-UNI-d4749f31-34
0.295
MAR-TRE-8190bb11-35
0.294
MAR-LAB-ca4662a6-7
0.293
WIL-UNI-2a57d06c-21
0.291
SAD-SAT-d8079f6f-10
0.290
JOO-IND-b13e14cc-3
0.289
AAR-UNI-c25c2f1e-69
0.287
AHN-SAT-02ef6d10-1
0.284
JOO-IND-b13e14cc-1
0.284
SAD-SAT-d8079f6f-8
0.283
AAR-UNI-c25c2f1e-20
0.282
AHN-SAT-02ef6d10-4
0.282
AHN-SAT-324b361c-1
0.280
AAR-UNI-c25c2f1e-76
0.279
JOO-IND-b2fae8f6-2
0.270
MAR-TRE-fd17a9b8-54
0.267
WIL-UNI-2a57d06c-36
0.266
MAR-TRE-14ce9fd6-66
0.265
MAR-TRE-14ce9fd6-84
0.263
UNK-UNK-2ede4078-29
0.262
WIL-UNI-2a57d06c-43
0.261
WIL-UNI-d4749f31-35
0.258
SAD-SAT-d8079f6f-7
0.254
JOO-IND-b2fae8f6-1
0.253
MAR-TRE-aca67d11-10
0.253
AAR-UNI-c25c2f1e-86
0.253
MAR-LAB-ff9967db-1
0.250
MAT-POS-ea426761-92
0.245
AAR-POS-0daf6b7e-4
0.244
JOO-IND-68bcc4bc-1
0.244
MAT-POS-fa06b69f-8
0.243
TAT-ENA-80bfd3e5-42
0.243
RAM-SYN-2a37ce6c-7
0.243
ALP-UNI-ed5cdfd2-8
0.242
EDJ-MED-06d94977-2
0.241
WAR-XCH-b72a1bbc-8
0.241
VIK-SYN-bf9c9ac8-8
0.240
VIK-SYN-9a3d118a-6
0.240
MAK-UNK-72659d64-14
0.239
UNK-UNK-2ede4078-94
0.239
JAR-IMP-ed466bb3-15
0.238
MAR-TRE-aca67d11-18
0.237
RUT-UNI-630c5802-22
0.237
MAR-TRE-6a44bbf2-98
0.237
MAK-UNK-72659d64-5
0.236
MAR-TRE-6a44bbf2-85
0.236
EDJ-MED-06d94977-1
0.236
SAD-SAT-f0a2747f-2
0.235
RUT-UNI-630c5802-18
0.234
ALP-POS-6d04362c-1
0.233
MAR-LAB-efb042c5-6
0.233
WAR-XCH-bdd24732-34
0.233
MAR-LAB-ff9967db-2
0.232
MAR-TRE-aca67d11-27
0.232
RUT-UNI-630c5802-19
0.232
MAK-UNK-e0fdfe28-1
0.231
THO-SYG-f9b2970d-6
0.229
MAR-TRE-aca67d11-30
0.228
MAR-TRE-36bf7dba-30
0.228
RAM-SYN-2a37ce6c-6
0.227
MAK-UNK-72659d64-8
0.227
MAK-UNK-3f402c2b-28
0.227
MAR-TRE-aca67d11-28
0.226
IND-SYN-6c8299e8-1
0.226
MAR-TRE-aca67d11-49
0.226
MAK-UNK-72659d64-16
0.225
MAK-UNK-72659d64-6
0.225
MAR-TRE-92684b97-93
0.225
WIL-UNI-2e73223c-1
0.223
ALP-POS-75715966-5
0.222
CHO-MSK-00c5269a-2
0.222
MAR-TRE-aca67d11-8
0.222
ALP-POS-a1bdc92a-1
0.221
MAR-TRE-aca67d11-41
0.221
MAR-TRE-aca67d11-23
0.221
MAK-UNK-72659d64-7
0.221
AAA-OOO-6ef70637-1
0.220
MAR-TRE-ebcc4ad6-47
0.220
DUN-NEW-f8ce3686-23
0.220
MAR-TRE-6a44bbf2-80
0.218
MAR-TRE-36bf7dba-36
0.218
AAR-POS-8a4e0f60-8
0.218
UNK-UNK-2ede4078-81
0.217
ALP-POS-6d04362c-2
0.216
ALP-POS-bad7201a-15
0.216
CHO-MSK-00c5269a-3
0.216