Molecular Properties | |
SMILES: | CC(=O)N1CCC(CN2CCc3ccc(S(N)(=O)=O)cc3C2=O)CC1 |
MW: | 365.455 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 100.78 |
cLogP: | 0.590800000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
STU-CHA-83dacf15-1
0.398
STU-CHA-83dacf15-3
0.396
STU-CHA-83dacf15-2
0.393
HEI-REL-0c990a45-2
0.376
HEI-REL-0c990a45-1
0.372
STU-CHA-7e77017b-1
0.370
HAR-NEW-e34cb1ae-6
0.311
STU-CHA-814c6126-1
0.309
MAK-UNK-212f693e-16
0.307
STU-CHA-09bcc2f6-1
0.305
JOK-SYG-6ec557d2-1
0.305
MAK-UNK-0b1cbb06-5
0.305
NAU-LAT-42d4957e-3
0.303
JOK-SYG-ac99ed27-1
0.301
JAN-GHE-1d98ec1c-1
0.299
HEI-REL-0c990a45-6
0.297
SAD-SAT-5b1897b2-7
0.296
MAR-TRE-6a44bbf2-33
0.296
DUN-NEW-f8ce3686-14
0.295
CHR-UNK-e061132b-1
0.295
CHR-UNK-b46452fc-1
0.295
MAK-UNK-90d0606b-6
0.293
WIL-LEE-23e8b574-7
0.293
HAR-NEW-e34cb1ae-5
0.292
MAK-UNK-0b1cbb06-4
0.291
NIR-THE-0d6461ce-4
0.290
JAN-GHE-1d98ec1c-5
0.289
MIH-UNI-6b9ca91a-9
0.287
WAR-XCH-b6889685-20
0.284
DRA-CSI-47e38074-2
0.284
SAD-SAT-89668ff1-2
0.283
STE-NAN-bafe64f0-1
0.282
JAN-GHE-1d98ec1c-9
0.281
HAN-UNI-e165996f-1
0.281
LON-WEI-b8d98729-4
0.281
PET-SGC-6a1b02a9-1
0.281
JAN-GHE-1d98ec1c-7
0.281
HEI-REL-0c990a45-4
0.280
PET-SGC-908c18f3-1
0.280
AAR-POS-d2a4d1df-4
0.278
MAK-UNK-0b1cbb06-2
0.278
TAM-UNI-c140e31a-13
0.278
WAR-XCH-b72a1bbc-20
0.277
MAK-UNK-0b1cbb06-3
0.277
NIM-UNI-02269248-3
0.277
HEI-REL-0c990a45-5
0.277
WAR-XCH-b72a1bbc-14
0.276
JAN-GHE-1d98ec1c-10
0.276
DAR-DIA-37454fd7-2
0.276
MAT-POS-ea426761-89
0.276
RED-RED-10c9212c-51
0.275
WAR-XCH-b72a1bbc-23
0.275
PET-SGC-481b48b7-1
0.275
WAR-XCH-b72a1bbc-19
0.274
AAR-POS-fca48359-5
0.274
PET-SGC-ae7b447e-1
0.274
PAU-UNI-f4334617-1
0.271
MAK-UNK-10799360-15
0.269
WIL-LEE-23e8b574-4
0.268
PET-SGC-616b7348-1
0.268
RED-RED-10c9212c-5
0.267
JAN-GHE-1d98ec1c-2
0.264
JON-UNI-bb9dc649-13
0.264
PET-SGC-abcbce68-1
0.264
NIR-THE-0d6461ce-5
0.263
NAU-LAT-42d4957e-2
0.262
WAR-XCH-b72a1bbc-49
0.262
TAM-UNI-c140e31a-7
0.260
MAK-UNK-10799360-11
0.260
MAR-TRE-be9ff7d2-88
0.259
SAD-SAT-f2e2579e-5
0.258
WAR-XCH-b6889685-16
0.258
PAU-UNI-2d648ace-1
0.257
TAM-UNI-c140e31a-5
0.257
WAR-XCH-b6889685-19
0.256
WAR-XCH-b72a1bbc-45
0.255
NAU-LAT-42d4957e-4
0.255
AND-UNI-23ac02e4-1
0.255
WIL-WAB-1289c0dd-2
0.255
WAR-XCH-b72a1bbc-21
0.253
JON-UIO-066ce08b-6
0.253
PET-SGC-05cff2e1-1
0.252
PED-UNI-d0b586b3-1
0.252
JAN-GHE-1d98ec1c-4
0.250
WAR-XCH-b72a1bbc-48
0.250
WAR-XCH-b72a1bbc-39
0.250
WAR-XCH-b6889685-21
0.250
WAR-XCH-b6889685-12
0.250
TAM-UNI-c140e31a-12
0.248
MAK-UNK-69bf97dd-4
0.248
WAR-XCH-b6889685-54
0.247
MIH-UNI-6b9ca91a-3
0.245
TAM-UNI-c140e31a-6
0.245
TAM-UNI-c140e31a-14
0.245
PET-SGC-c4a91520-1
0.245
ASH-SAT-43770c7d-2
0.245
WAR-XCH-b6889685-6
0.245
WAR-XCH-b6889685-15
0.244
ANT-OPE-7824651a-2
0.244
WAR-XCH-b6889685-23
0.244