Molecular Properties | |
SMILES: | NS(=O)(=O)NCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1cc2ccccc2cn1)c1ccccc1 |
MW: | 548.625 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 6 |
Rotatable Bonds: | 10 |
TPSA: | 175.54 |
cLogP: | 2.3238 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
Dipeptide
CHA-KIN-bfe9b535-2
0.677
CHA-KIN-bfe9b535-8
0.643
CHA-KIN-bfe9b535-1
0.626
CHA-KIN-bfe9b535-7
0.610
CHA-KIN-bfe9b535-3
0.604
CHA-KIN-bfe9b535-4
0.594
CHA-KIN-bfe9b535-5
0.590
CHA-KIN-bfe9b535-9
0.583
MAK-UNK-c44f4be0-11
0.345
NIM-UNI-ed9fc491-4
0.336
MAR-TRE-e86a56b5-66
0.333
CHA-KIN-45d1307a-1
0.331
MAK-UNK-c44f4be0-9
0.328
CHA-KIN-45d1307a-2
0.323
MAR-TRE-e86a56b5-77
0.321
MAK-UNK-10799360-26
0.320
MAK-UNK-c44f4be0-10
0.316
CHA-KIN-7308df58-3
0.312
CHA-KIN-45d1307a-3
0.311
MAR-TRE-e86a56b5-55
0.311
NIM-UNI-ed9fc491-3
0.308
MAK-UNK-c44f4be0-8
0.306
MAK-UNK-c44f4be0-7
0.303
MAK-UNK-f0bfc2e0-3
0.297
TRY-UNI-9f475305-11
0.296
CHA-KIN-7308df58-2
0.296
CHA-KIN-7308df58-1
0.293
MAR-TRE-e86a56b5-31
0.290
MAR-TRE-e86a56b5-69
0.287
TRY-UNI-9f475305-10
0.286
MAR-TRE-e86a56b5-47
0.286
MAR-TRE-e86a56b5-62
0.278
NIC-BIO-a68395b7-4
0.270
MAK-UNK-c44f4be0-4
0.268
BAR-COM-4e090d3a-7
0.267
MAR-TRE-e86a56b5-45
0.265
MAR-TRE-e86a56b5-56
0.265
ABH-HOE-1cbf6cd9-2
0.265
AAR-POS-d2a4d1df-16
0.264
VOL-CHA-d666e5ae-4
0.261
CHA-KIN-87c379ac-1
0.261
MAR-TRE-e86a56b5-63
0.260
MAR-TRE-fffca54f-96
0.260
MAK-UNK-c44f4be0-3
0.260
NIC-BIO-a68395b7-3
0.259
MAR-TRE-e86a56b5-58
0.258
MAR-TRE-e86a56b5-98
0.257
MAR-TRE-e86a56b5-25
0.257
FAR-UNI-124f5ee8-1
0.256
MAK-UNK-c44f4be0-14
0.256
NIC-BIO-a68395b7-1
0.254
MAR-TRE-85681e92-70
0.252
MAR-TRE-e86a56b5-81
0.252
MAR-TRE-e86a56b5-46
0.252
VOL-CHA-d666e5ae-2
0.252
BAR-COM-4e090d3a-38
0.252
MAR-TRE-9d18ae8c-20
0.248
VOL-CHA-d666e5ae-1
0.248
NIC-BIO-a68395b7-5
0.248
MAR-TRE-85681e92-51
0.248
MAR-TRE-e86a56b5-67
0.248
JUA-UNI-b93289a4-6
0.245
MAR-TRE-e86a56b5-97
0.243
JUS-UNI-57125a42-1
0.242
NIC-BIO-a68395b7-2
0.241
ARI-TAT-5792557e-28
0.241
MAR-TRE-e86a56b5-99
0.240
MAR-TRE-4f39ef4a-25
0.239
FAR-UNI-a04c1544-1
0.239
MAR-TRE-e86a56b5-73
0.239
NIM-UNI-ed9fc491-1
0.237
BEN-DND-93268d01-14
0.236
MAR-TRE-e86a56b5-19
0.236
SUN-WAB-e274cdaf-1
0.236
MAR-TRE-e86a56b5-6
0.236
MAR-TRE-8190bb11-6
0.235
MAR-TRE-f6f5f473-80
0.235
WIL-LEE-1f71e281-7
0.234
MAR-TRE-9d18ae8c-24
0.233
HAO-BIO-c9aafde3-4
0.233
BAR-COM-4e090d3a-46
0.233
BAR-COM-0f94fc3d-7
0.231
MAR-TRE-e86a56b5-11
0.231
MAR-TRE-f5c2d31c-84
0.230
RAL-THA-1d44ff04-10
0.230
VOL-CHA-d666e5ae-5
0.229
BEN-DND-93268d01-16
0.229
MAR-TRE-e86a56b5-28
0.229
ARI-TAT-5792557e-4
0.229
BAR-COM-4e090d3a-19
0.229
LON-WEI-af038623-2
0.229
PET-SGC-d0156db4-1
0.228
DRE-WAB-ae4a693c-1
0.228
PET-SGC-b0f8bd49-1
0.228
BEN-DND-362d364a-12
0.228
VOL-CHA-d666e5ae-3
0.228
BAR-COM-4e090d3a-18
0.228
MAK-UNK-c44f4be0-2
0.227
MAR-TRE-8190bb11-11
0.227
JOK-SYG-a0b0bf84-1
0.227