Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(CNc2nc3ccccc3[nH]2)s1 |
MW: | 307.4 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.85 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1815897797 |
Enamine Extended REAL: | s_27____9277916____644822 |
AAR-POS-d2a4d1df-1
AAR-POS-0daf6b7e-25
0.471
SWA-SYN-40d44a84-4
0.446
MAK-UNK-3ae66343-2
0.435
SWA-SYN-40d44a84-5
0.432
MAK-UNK-1bb0b7ee-12
0.398
MAK-UNK-1bb0b7ee-9
0.376
AAR-POS-0daf6b7e-39
0.373
MAK-UNK-1ac43cfa-1
0.348
MAK-UNK-1bb0b7ee-14
0.340
MAK-UNK-1bb0b7ee-5
0.333
MAK-UNK-a7992eb3-12
0.324
MAK-UNK-a7992eb3-4
0.315
MAK-UNK-a7992eb3-19
0.311
MAK-UNK-1bb0b7ee-15
0.311
MAK-UNK-3ae66343-1
0.303
MAK-UNK-a7992eb3-25
0.301
MAR-TRE-87acfbcc-73
0.296
ALP-UNI-ed5cdfd2-1
0.292
ALP-POS-a30bcdb4-1
0.290
WIL-UNI-d4749f31-37
0.289
MAR-TRE-ebcc4ad6-45
0.288
ALP-UNI-ed5cdfd2-2
0.287
MAR-TRE-a9136c7b-54
0.286
MAR-TRE-14ce9fd6-30
0.278
MAR-TRE-a9136c7b-24
0.276
ALP-POS-3fc1724e-8
0.272
ALP-UNI-ed5cdfd2-7
0.272
MAR-TRE-423310b6-61
0.271
ALP-UNI-ed5cdfd2-3
0.268
GAB-REV-70cc3ca5-9
0.267
MAK-UNK-b1d4dcd7-1
0.267
AAR-UNI-c25c2f1e-57
0.265
MAR-TRE-1c920f6f-65
0.264
CAS-DEP-751a2458-2
0.263
MAR-TRE-8a25d817-28
0.262
MAR-TRE-143fb005-29
0.261
MAR-TRE-143fb005-34
0.261
AAR-UNI-c25c2f1e-41
0.261
MAR-TRE-143fb005-24
0.260
MAR-TRE-1c920f6f-61
0.258
MAR-TRE-aca67d11-41
0.256
MAR-TRE-799db12b-38
0.253
MAR-TRE-143fb005-25
0.253
MAR-TRE-143fb005-14
0.253
RED-RED-10c9212c-55
0.253
AAR-UNI-c25c2f1e-83
0.253
MAR-TRE-9d18ae8c-20
0.247
AAR-UNI-c25c2f1e-58
0.247
MAR-TRE-d3c2bf0e-16
0.247
ALP-POS-a30bcdb4-2
0.243
MAR-TRE-143fb005-37
0.241
SAD-SAT-f0a2747f-6
0.241
JAR-KUA-41bd5a3d-14
0.239
MAR-TRE-143fb005-30
0.239
MAR-TRE-143fb005-31
0.239
SWA-SYN-40d44a84-1
0.239
ALP-POS-ddb41b15-9
0.238
MAR-TRE-143fb005-13
0.237
MAR-TRE-14ce9fd6-40
0.237
MAR-TRE-36bf7dba-66
0.234
GAB-REV-4a4e2ff3-3
0.233
AAR-UNI-c25c2f1e-44
0.232
SEB-HKI-06b43755-1
0.232
COM-UCB-8c7d23dc-2
0.230
MAR-TRE-143fb005-17
0.229
AAR-UNI-c25c2f1e-52
0.229
SWA-SYN-40d44a84-3
0.229
MAR-TRE-143fb005-28
0.227
MAR-TRE-9d18ae8c-12
0.227
MAR-TRE-143fb005-19
0.227
MAK-UNK-c749d764-30
0.222
MAR-TRE-a9136c7b-17
0.221
MAK-UNK-009ebe36-5
0.220
MAR-TRE-4f781e27-42
0.218
WIL-UNI-d4749f31-21
0.218
MAR-TRE-143fb005-20
0.214
ALP-UNI-ed5cdfd2-8
0.210
MAR-TRE-1c920f6f-2
0.209
MAR-TRE-143fb005-16
0.208
MAK-UNK-009ebe36-4
0.208
ASH-IND-65ab4b99-6
0.207
IND-SYN-8bc6954a-3
0.207
SWA-SYN-59528602-1
0.207
IND-SYN-35527f5a-1
0.207
AAR-POS-fca48359-6
0.206
FAR-UNI-736b943a-10
0.206
COM-UCB-1ef4e90e-3
0.206
ALP-UNI-ed5cdfd2-6
0.206
RED-RED-10c9212c-19
0.206
MAR-LAB-ca4662a6-8
0.204
DAR-DIA-2964957d-6
0.204
MAR-TRE-1c920f6f-99
0.203
WIL-UNI-2a57d06c-47
0.202
BEN-DND-61647d40-2
0.202
WIL-UNI-2a57d06c-43
0.202
MAR-TRE-66ac689e-12
0.200
ALP-UNI-ed5cdfd2-4
0.200
MAR-TRE-c8530538-26
0.198
ALP-UNI-ed5cdfd2-5
0.198
MAR-TRE-4f781e27-54
0.198