Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)N2CCN3CCc4ccc(S(N)(=O)=O)cc4C3C2)cc1 |
MW: | 415.515 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 92.94 |
cLogP: | 1.46282 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-4
NAU-LAT-42d4957e-1
0.437
AAR-POS-d2a4d1df-6
0.400
NAU-LAT-42d4957e-2
0.387
JOH-IMS-cc7b4c67-2
0.340
MAK-UNK-acefcb18-20
0.336
JOH-IMS-cc7b4c67-4
0.324
JOH-IMS-cc7b4c67-6
0.321
WAR-XCH-b6889685-15
0.316
MAK-UNK-acefcb18-21
0.312
MAK-UNK-acefcb18-29
0.308
JOH-IMS-cc7b4c67-8
0.306
SAD-SAT-cefd50cc-7
0.298
WIL-WAB-1289c0dd-1
0.283
HAR-NEW-e34cb1ae-5
0.282
JOH-IMS-cc7b4c67-1
0.278
PET-SGC-fedd1f79-1
0.277
HEI-REL-0c990a45-2
0.276
HEI-REL-0c990a45-1
0.274
HEI-REL-0c990a45-3
0.274
RAF-UNK-9885c2f5-2
0.272
JOK-SYG-6ec557d2-1
0.270
PAU-UNI-f4334617-1
0.264
MAR-TRE-6a44bbf2-68
0.263
AAR-POS-d2a4d1df-27
0.263
MAR-LAB-efb042c5-5
0.263
STU-CHA-83dacf15-1
0.261
MAK-UNK-90d0606b-6
0.261
MAK-UNK-3f402c2b-5
0.260
MAK-UNK-0b1cbb06-2
0.259
STU-CHA-83dacf15-2
0.259
JAR-IMP-ed466bb3-6
0.256
SAD-SAT-c989feaa-9
0.254
MAK-UNK-0b1cbb06-5
0.253
MAK-UNK-acefcb18-22
0.252
MAK-UNK-acefcb18-24
0.252
STU-CHA-83dacf15-3
0.252
DAN-MCD-881986d8-1
0.252
RAF-UNK-9885c2f5-1
0.252
WAR-XCH-b72a1bbc-43
0.250
HAR-NEW-e34cb1ae-6
0.250
MAT-POS-590ac91e-66
0.250
PED-UNI-d0b586b3-1
0.248
MAK-UNK-10799360-30
0.248
TAM-UNI-c140e31a-13
0.248
SIM-SYN-3099a863-2
0.248
LON-WEI-b8d98729-4
0.248
PET-SGC-6a1b02a9-1
0.248
JAN-GHE-1d98ec1c-7
0.248
SAD-SAT-581007d4-4
0.245
MAR-TRE-6a44bbf2-33
0.245
SAD-SAT-5b1897b2-7
0.245
MAK-UNK-10799360-11
0.244
STU-CHA-7e77017b-1
0.243
MAK-UNK-acefcb18-1
0.242
AAR-POS-d2a4d1df-4
0.242
TAM-UNI-c140e31a-5
0.242
PAU-UNI-2d648ace-1
0.241
DAR-DIA-37454fd7-2
0.241
WIL-WAB-1289c0dd-2
0.240
MAK-UNK-acefcb18-30
0.240
MAK-UNK-0b1cbb06-4
0.240
NAU-LAT-42d4957e-4
0.239
JAN-GHE-1d98ec1c-1
0.238
PET-SGC-cb62ec31-1
0.238
MIH-UNI-e573136b-12
0.237
NIR-THE-c331be7a-5
0.237
TAM-UNI-d1c3dd9f-3
0.237
DAN-MCD-1c3944e2-1
0.237
HEI-REL-0c990a45-4
0.236
JAR-KUA-41bd5a3d-9
0.236
MAK-UNK-3f402c2b-12
0.236
MAK-UNK-7c9d1431-22
0.235
MAK-UNK-acefcb18-23
0.235
HEI-REL-0c990a45-5
0.234
HEI-REL-0c990a45-6
0.233
DAN-MCD-34fd4f29-1
0.233
TAM-UNI-c140e31a-7
0.233
JOK-SYG-ac99ed27-1
0.232
MIH-UNI-6b9ca91a-9
0.232
DAR-DIA-caba39e3-10
0.232
NAU-LAT-42d4957e-3
0.231
TRY-UNI-1fd04853-4
0.231
MAK-UNK-acefcb18-16
0.231
SEL-UNI-cd366922-7
0.231
JAN-GHE-1d98ec1c-5
0.231
PET-SGC-c4a91520-1
0.230
SIM-SYN-3099a863-1
0.230
MAK-UNK-0b1cbb06-3
0.230
WAR-XCH-b6889685-16
0.229
MAK-UNK-5e88aa6a-1
0.229
AND-UNI-23ac02e4-1
0.229
RED-RED-10c9212c-51
0.228
DAV-UNK-07f953a2-3
0.228
PET-SGC-616b7348-1
0.228
SAD-SAT-9a6c5cf3-2
0.228
MAK-UNK-acefcb18-17
0.228
TAM-UNI-c140e31a-4
0.228
MAK-UNK-acefcb18-18
0.227
MAK-UNK-7c9d1431-5
0.226
MAR-TRE-6a44bbf2-49
0.226