Molecular Properties | |
SMILES: | NS(=O)(=O)NCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1c(F)cc(F)cc1F)c1ccccc1 |
MW: | 551.547 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 6 |
Rotatable Bonds: | 10 |
TPSA: | 162.65 |
cLogP: | 2.1929 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
Dipeptide
CHA-KIN-bfe9b535-5
0.699
CHA-KIN-bfe9b535-1
0.689
CHA-KIN-bfe9b535-9
0.688
CHA-KIN-bfe9b535-2
0.653
CHA-KIN-bfe9b535-7
0.649
CHA-KIN-bfe9b535-4
0.649
CHA-KIN-bfe9b535-6
0.643
CHA-KIN-bfe9b535-3
0.626
CHA-KIN-45d1307a-3
0.510
CHA-KIN-7308df58-2
0.485
NIM-UNI-ed9fc491-4
0.376
MAR-TRE-e86a56b5-66
0.367
MAK-UNK-c44f4be0-11
0.361
CHA-KIN-7308df58-1
0.347
NIM-UNI-ed9fc491-3
0.346
MAK-UNK-10799360-26
0.345
MAK-UNK-c44f4be0-9
0.330
CHA-KIN-45d1307a-2
0.325
CHA-KIN-45d1307a-1
0.322
MAK-UNK-c44f4be0-10
0.318
MAK-UNK-c44f4be0-7
0.315
MAR-TRE-e86a56b5-69
0.315
MAR-TRE-e86a56b5-47
0.315
MAR-TRE-e86a56b5-55
0.312
TRY-UNI-9f475305-11
0.310
MAK-UNK-c44f4be0-8
0.307
MAR-TRE-e86a56b5-62
0.307
MAR-TRE-e86a56b5-31
0.304
CHA-KIN-7308df58-3
0.303
VOL-CHA-d666e5ae-4
0.297
NIC-BIO-a68395b7-3
0.296
NIC-BIO-a68395b7-4
0.294
MAR-TRE-e86a56b5-56
0.292
MAR-TRE-e86a56b5-45
0.292
CHA-KIN-87c379ac-1
0.289
AAR-POS-d2a4d1df-16
0.289
MAK-UNK-c44f4be0-14
0.288
MAK-UNK-c44f4be0-4
0.288
MAR-TRE-e86a56b5-63
0.287
MAR-TRE-fffca54f-96
0.287
VOL-CHA-d666e5ae-2
0.287
TRY-UNI-9f475305-10
0.286
MAR-TRE-e86a56b5-77
0.284
MAR-TRE-e86a56b5-58
0.284
ABH-HOE-1cbf6cd9-2
0.283
NIC-BIO-a68395b7-5
0.283
MAR-TRE-e86a56b5-98
0.283
MAK-UNK-c44f4be0-3
0.280
MAR-TRE-e86a56b5-81
0.277
MAR-TRE-e86a56b5-46
0.276
WIL-UNI-1faa9b10-4
0.275
MAR-TRE-e86a56b5-67
0.271
NIM-UNI-ed9fc491-1
0.269
WIL-LEE-1f71e281-7
0.268
MAR-TRE-e86a56b5-97
0.264
NIC-BIO-a68395b7-1
0.264
MAR-TRE-e86a56b5-99
0.264
MAR-TRE-e86a56b5-28
0.263
NIC-BIO-a68395b7-2
0.262
MAR-TRE-e86a56b5-73
0.260
JOK-SYG-a0b0bf84-1
0.260
WIL-UNI-1faa9b10-42
0.260
MAR-TRE-4f39ef4a-25
0.259
MAR-TRE-e86a56b5-6
0.258
VOL-CHA-d666e5ae-1
0.257
MAR-TRE-e86a56b5-36
0.255
NIM-UNI-ed9fc491-2
0.255
SHA-THE-408e7524-23
0.254
MAR-TRE-e86a56b5-11
0.253
MAK-UNK-f0bfc2e0-3
0.252
CHA-KIN-87c379ac-2
0.252
BAR-COM-4e090d3a-38
0.250
MAR-TRE-85681e92-70
0.250
ARI-TAT-5792557e-28
0.250
MAR-TRE-e86a56b5-19
0.245
MAR-TRE-85681e92-51
0.245
BAR-COM-4e090d3a-7
0.243
FAR-UNI-124f5ee8-1
0.243
WIL-UNI-1faa9b10-24
0.243
SHA-THE-408e7524-8
0.242
MAR-TRE-e86a56b5-39
0.242
ARI-TAT-5792557e-29
0.241
MAR-TRE-e86a56b5-50
0.240
BAR-COM-4e090d3a-19
0.236
MAR-UCB-195bc32d-14
0.236
FAR-UNI-a04c1544-1
0.236
MAR-TRE-9d18ae8c-20
0.235
MAR-TRE-4f781e27-4
0.231
DAV-CRI-25b90884-1
0.231
HAO-BIO-c9aafde3-4
0.230
SAL-INS-68b48d12-3
0.230
MAR-TRE-e86a56b5-37
0.230
JUA-UNI-b93289a4-6
0.230
BAR-COM-4e090d3a-46
0.230
ALP-POS-8df010a9-1
0.230
WIL-UNI-1faa9b10-9
0.229
YUN-WES-58b0dbae-10
0.229
YUN-WES-64c64eb2-3
0.229
MAR-TRE-4f39ef4a-52
0.229
JUS-UNI-57125a42-1
0.228