Molecular Properties | |
SMILES: | N#CCC(=O)N1CCC(CN2CCc3ccc(S(N)(=O)=O)cc3C2)CC1 |
MW: | 376.482 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 107.5 |
cLogP: | 0.84438 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
STU-CHA-83dacf15-1
0.760
STU-CHA-83dacf15-2
0.684
STU-CHA-814c6126-1
0.478
MAK-UNK-90d0606b-6
0.473
STU-CHA-09bcc2f6-1
0.462
STU-CHA-7e77017b-1
0.452
HEI-REL-0c990a45-3
0.396
TAM-UNI-c140e31a-7
0.392
TAM-UNI-c140e31a-5
0.343
TAM-UNI-c140e31a-1
0.327
HEI-REL-0c990a45-2
0.326
JAR-IMP-ed466bb3-6
0.319
JOK-SYG-6ec557d2-1
0.317
TAM-UNI-c140e31a-13
0.317
TAM-UNI-c140e31a-9
0.313
MAR-TRE-6a44bbf2-33
0.310
SAD-SAT-5b1897b2-7
0.310
HEI-REL-0c990a45-1
0.309
TAM-UNI-c140e31a-8
0.309
MAK-UNK-10799360-9
0.300
RED-RED-10c9212c-51
0.298
MAK-UNK-10799360-11
0.296
HAR-NEW-e34cb1ae-6
0.296
PAU-UNI-2d648ace-1
0.295
PET-SGC-908c18f3-1
0.293
WAR-XCH-b72a1bbc-22
0.292
WAR-XCH-b72a1bbc-20
0.292
HAR-NEW-e34cb1ae-5
0.291
NIR-THE-0d6461ce-4
0.290
WAR-XCH-b72a1bbc-19
0.289
MAK-UNK-10799360-7
0.287
PED-UNI-d0b586b3-1
0.287
PAU-UNI-f4334617-1
0.283
SAD-SAT-89668ff1-2
0.283
WAR-XCH-b72a1bbc-21
0.283
MAR-TRE-0fda4e82-52
0.278
MAK-UNK-0b1cbb06-4
0.276
NAU-LAT-42d4957e-3
0.276
WAR-XCH-b6889685-8
0.275
SAD-SAT-9a6c5cf3-6
0.274
HEI-REL-0c990a45-6
0.273
WAR-XCH-b72a1bbc-28
0.272
WAR-XCH-b72a1bbc-25
0.269
PET-SGC-6a1b02a9-1
0.268
MAK-UNK-0b1cbb06-2
0.267
SAD-SAT-f2e2579e-4
0.267
WAR-XCH-b6889685-12
0.265
WAR-XCH-b6889685-13
0.265
NIR-THE-0d6461ce-5
0.265
MAK-UNK-0b1cbb06-3
0.264
TAM-UNI-d1c3dd9f-10
0.264
HAR-NEW-e34cb1ae-4
0.263
WAR-XCH-b6889685-10
0.263
PET-SGC-481b48b7-1
0.263
WAR-XCH-b72a1bbc-26
0.262
MAK-UNK-3f402c2b-13
0.260
SAD-SAT-f2e2579e-5
0.260
MAK-UNK-10799360-15
0.259
MAK-UNK-7c9d1431-5
0.258
MAR-TRE-6a44bbf2-31
0.258
MAK-UNK-7c9d1431-7
0.258
MAR-TRE-6a44bbf2-49
0.258
PET-SGC-616b7348-1
0.257
MAK-UNK-6ca90168-18
0.256
WAR-XCH-b6889685-14
0.255
JAR-IMP-ed466bb3-13
0.255
WAR-XCH-b72a1bbc-30
0.255
MIH-UNI-e573136b-12
0.255
NIR-THE-c331be7a-5
0.255
TAM-UNI-d1c3dd9f-3
0.255
DAV-CRI-3fe943ba-1
0.255
MAK-UNK-10799360-30
0.254
PET-SGC-05cff2e1-1
0.254
AAR-POS-d2a4d1df-37
0.253
MAR-TRE-6a44bbf2-7
0.253
WAR-XCH-b6889685-11
0.252
PET-SGC-ae7b447e-1
0.252
TAM-UNI-c140e31a-12
0.250
JOK-SYG-ac99ed27-1
0.250
TAM-UNI-d1c3dd9f-8
0.250
MAK-UNK-69bf97dd-4
0.250
AAR-POS-d2a4d1df-4
0.250
DAR-DIA-caba39e3-10
0.248
TAM-UNI-c140e31a-14
0.248
SAD-SAT-f25ee457-2
0.248
SAD-SAT-89668ff1-1
0.248
MAK-UNK-10dfa458-40
0.247
MAK-UNK-0b1cbb06-5
0.247
WAR-XCH-b72a1bbc-14
0.247
DAR-DIA-37454fd7-2
0.246
WIL-WAB-1289c0dd-2
0.246
WAR-XCH-b6889685-9
0.243
WAR-XCH-b72a1bbc-32
0.243
WAR-XCH-b72a1bbc-24
0.243
JAR-KUA-41bd5a3d-9
0.242
DUN-NEW-f8ce3686-14
0.242
PET-SGC-f913cec9-1
0.242
WAR-XCH-b6889685-20
0.242
NAU-LAT-42d4957e-2
0.241
DAV-CRI-3fe943ba-2
0.241