Molecular Properties | |
SMILES: | COc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1 |
MW: | 303.07 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 84.08 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z786102080 |
Mcule: | MCULE-4874424113 |
MolPort: | MolPort-010-932-321 |
Hetero_hetero
MAR-TRE-3159af1a-93
0.378
MAR-TRE-3159af1a-36
0.373
MAR-TRE-3159af1a-33
0.370
MAR-TRE-3159af1a-74
0.370
MAR-TRE-3159af1a-56
0.369
MAR-TRE-3159af1a-89
0.366
MAR-TRE-3159af1a-35
0.360
MAR-TRE-3159af1a-86
0.357
MAR-TRE-3159af1a-19
0.356
MAR-TRE-3159af1a-78
0.353
MAR-TRE-3159af1a-67
0.345
MAR-TRE-3159af1a-43
0.341
MAR-TRE-3159af1a-42
0.341
MAR-UCB-195bc32d-10
0.338
MAR-TRE-3159af1a-65
0.337
MAR-TRE-3159af1a-61
0.337
MAR-TRE-3159af1a-31
0.333
MAR-TRE-3159af1a-32
0.330
MAR-TRE-3159af1a-9
0.321
MAR-TRE-3159af1a-81
0.305
MAK-UNK-b1917cc8-5
0.305
TRY-UNI-1fd04853-7
0.301
MAR-UCB-195bc32d-13
0.299
KAL-WAB-eb347ebe-1
0.296
MAR-TRE-3159af1a-45
0.296
DAR-DIA-23aa0b97-12
0.291
NIC-BIO-25446079-4
0.291
MAR-TRE-3159af1a-58
0.289
MAR-TRE-3159af1a-57
0.287
ANT-DIA-3c79be55-3
0.287
AAR-POS-d2a4d1df-20
0.286
MAR-TRE-3159af1a-8
0.286
SAD-SAT-f25ee457-6
0.282
KEI-TRE-d5e2018a-92
0.281
NIC-BIO-29f4a211-1
0.281
TAM-UNI-c140e31a-19
0.280
TAM-UNI-c140e31a-4
0.280
RED-RED-10c9212c-38
0.280
NIC-BIO-174c9b04-1
0.279
MAR-TRE-3159af1a-76
0.278
RED-RED-10c9212c-49
0.278
MAR-TRE-7f7bb9f0-90
0.277
TRY-UNI-1fd04853-8
0.276
TAM-UNI-c140e31a-17
0.275
TRY-UNI-1fd04853-5
0.273
TRY-UNI-1fd04853-11
0.273
NIC-BIO-5044b423-1
0.273
NIC-BIO-25446079-3
0.273
NIC-BIO-ec630548-1
0.272
SID-ELM-1f105489-9
0.271
IND-SYN-6c8299e8-5
0.271
IND-SYN-3aa4e743-1
0.271
ASH-UNK-40b46b30-18
0.270
TRY-UNI-1fd04853-9
0.270
NIC-BIO-2722da07-1
0.269
MAR-TRE-3159af1a-40
0.269
IND-SYN-6c8299e8-11
0.268
IND-SYN-64980207-1
0.268
ZAC-WAB-2baeb60f-1
0.268
ZAC-WAB-d55a3c2e-1
0.268
NIC-BIO-174c9b04-2
0.267
NIC-BIO-25446079-1
0.267
NIC-BIO-25446079-2
0.267
SAD-SAT-f25ee457-5
0.267
KEI-TRE-d5e2018a-84
0.266
MAR-TRE-7f7bb9f0-16
0.264
KEI-TRE-d5e2018a-27
0.264
DAR-DIA-23aa0b97-1
0.264
MAR-TRE-3159af1a-69
0.263
NIC-BIO-ec630548-3
0.263
MAR-TRE-2fd8122f-11
0.263
TAM-UNI-c140e31a-18
0.262
KEI-TRE-d5e2018a-95
0.260
MAR-TRE-d0525fbf-92
0.260
ANT-DIA-3c79be55-1
0.258
MAR-TRE-6c5ef77a-67
0.258
DAR-DIA-23aa0b97-2
0.258
LIZ-THE-6efed59f-3
0.258
NIC-BIO-29f4a211-2
0.258
SWA-SYN-6423ea73-4
0.258
SWA-SYN-d2e6fa14-4
0.258
ZAC-WAB-86e8bacf-1
0.257
RED-RED-10c9212c-21
0.257
DAV-UNK-07f953a2-2
0.257
MAR-TRE-0fda4e82-41
0.257
MAT-POS-b5746674-56
0.256
JON-UNI-57097b3f-2
0.256
NIC-BIO-ec630548-2
0.255
MAR-TRE-3159af1a-37
0.255
RED-RED-10c9212c-10
0.255
COM-UCB-1ef4e90e-19
0.255
AGN-NEW-891393a6-4
0.253
RAL-MED-9a5eb9cb-7
0.253
NIC-BIO-ec630548-4
0.253
NIC-BIO-96ee2ca4-1
0.253
ASH-UNK-40b46b30-14
0.252
SHR-UNK-cde60afe-1
0.252
TRY-UNI-1fd04853-6
0.250
TRY-UNI-1fd04853-12
0.250
DAR-DIA-23aa0b97-11
0.250