Molecular Properties | |
SMILES: | N#Cc1ccc(CNC(=O)N2CCOCC2)c2cc(S(N)(=O)=O)ccc12 |
MW: | 374.1 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 125.52 |
cLogP: | 0.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-8
WIL-LEE-1f71e281-1
0.427
SCO-VAN-260d9628-4
0.426
AAR-POS-d2a4d1df-21
0.402
JAN-GHE-fd8d85a5-12
0.396
PET-SGC-6062269a-1
0.390
SAD-SAT-f25ee457-4
0.388
SAD-SAT-f25ee457-9
0.384
PET-SGC-cb83a00c-1
0.384
MAK-UNK-ec98eaf6-25
0.383
TAM-UNI-d1c3dd9f-1
0.380
DAR-DIA-fb20be43-16
0.380
PET-SGC-276eba5a-1
0.375
SAD-SAT-f25ee457-3
0.362
PAT-GYR-359dbb24-1
0.353
PAT-GYR-359dbb24-4
0.352
MAK-UNK-10799360-12
0.346
PAT-GYR-359dbb24-2
0.345
TAM-UNI-d1c3dd9f-21
0.344
PAT-GYR-359dbb24-3
0.341
STU-CHA-6cae54d3-1
0.340
PAU-WEI-f734c343-2
0.333
PAT-GYR-de8eec61-4
0.326
DAR-DIA-fb20be43-17
0.324
ANT-DIA-b7f58f21-9
0.323
PAT-GYR-de8eec61-7
0.323
PAT-GYR-de8eec61-5
0.323
PAT-GYR-359dbb24-5
0.323
TAM-UNI-d1c3dd9f-12
0.313
MAK-UNK-10799360-19
0.308
PAT-GYR-de8eec61-1
0.303
DAR-DIA-caba39e3-12
0.299
PAT-GYR-de8eec61-6
0.298
PAT-GYR-de8eec61-2
0.294
PET-SGC-0ecb2cfe-1
0.294
PAT-GYR-de8eec61-3
0.286
TAM-UNI-d1c3dd9f-7
0.286
WIL-NOV-649f4ed0-2
0.283
MIH-UNI-e573136b-4
0.280
DAR-DIA-03336633-10
0.278
DAR-DIA-fb20be43-18
0.275
DAR-DIA-fb20be43-9
0.275
MAK-UNK-69bf97dd-4
0.274
STU-CHA-128b80be-1
0.270
DAR-DIA-caba39e3-13
0.269
WIL-NOV-649f4ed0-1
0.265
ASH-UNK-40b46b30-6
0.263
ROB-UNI-b2e39629-12
0.261
MAK-UNK-69bf97dd-5
0.259
WIL-NOV-649f4ed0-5
0.257
SAD-SAT-89668ff1-2
0.257
MAR-TRE-4f781e27-67
0.252
MAR-TRE-8190bb11-7
0.250
DAR-DIA-3e9bbd81-9
0.250
GIA-UNK-3f36037a-6
0.250
DAR-DIA-fb20be43-12
0.250
PED-UNI-b79f0f51-2
0.250
AHN-SAT-de2502ba-16
0.250
STU-CHA-83dacf15-3
0.248
SAD-SAT-89668ff1-6
0.248
SIM-DEM-5935bd74-3
0.247
AHN-SAT-de2502ba-12
0.247
MAR-TRE-6a44bbf2-20
0.247
SAD-SAT-65574d3f-8
0.247
MAR-TRE-14ce9fd6-7
0.245
STU-CHA-128b80be-2
0.245
PET-SGC-616b7348-1
0.245
MAR-TRE-6a44bbf2-34
0.245
SWA-SYN-6423ea73-7
0.245
SWA-SYN-d2e6fa14-7
0.245
SAD-SAT-9a6c5cf3-1
0.243
MAK-UNK-bae89c02-3
0.243
MAR-TRE-a9136c7b-65
0.243
HEI-REL-0c990a45-4
0.243
GIA-UNK-eaadd1d4-3
0.242
BRU-UNI-248b30bc-8
0.241
MAR-TRE-fd17a9b8-62
0.240
PHI-UNK-c3ab17cb-1
0.240
KEI-UNI-85a52787-2
0.240
MAK-UNK-10799360-10
0.239
MAR-TRE-6a44bbf2-33
0.239
SAD-SAT-5b1897b2-7
0.239
MAK-UNK-6ca90168-9
0.239
EDJ-MED-378a25ea-11
0.238
LUI-IND-a1be81af-2
0.238
TAM-UNI-c140e31a-9
0.238
JAN-GHE-1d98ec1c-5
0.238
WAR-XCH-b72a1bbc-34
0.238
WAR-XCH-b72a1bbc-18
0.237
STU-CHA-6d5cfe2b-1
0.236
IND-SYN-8f867502-2
0.236
HEI-REL-0c990a45-2
0.235
CHR-SOS-363cfb78-6
0.235
AHN-SAT-de2502ba-9
0.235
CHR-SOS-363cfb78-8
0.234
SID-UNK-90efdc9b-1
0.234
CHR-SOS-363cfb78-5
0.233
WIL-LEE-23e8b574-8
0.232
MAT-POS-90fd5f68-11
0.231
GIA-UNK-3f36037a-2
0.231
PED-UNI-b79f0f51-1
0.230