Molecular Properties | |
SMILES: | CC(=O)c1ccc(F)cc1NC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CNS(N)(=O)=O)c1ccccc1 |
MW: | 557.604 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 6 |
Rotatable Bonds: | 11 |
TPSA: | 179.72 |
cLogP: | 2.1173 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
Long aliphatic chain
Hetero_hetero
Dipeptide
CHA-KIN-bfe9b535-8
0.688
CHA-KIN-bfe9b535-1
0.636
CHA-KIN-bfe9b535-2
0.606
CHA-KIN-bfe9b535-5
0.600
CHA-KIN-bfe9b535-3
0.598
CHA-KIN-bfe9b535-4
0.589
CHA-KIN-bfe9b535-7
0.589
CHA-KIN-bfe9b535-6
0.583
NIM-UNI-ed9fc491-4
0.368
MAK-UNK-10799360-26
0.350
MAR-TRE-e86a56b5-66
0.343
MAK-UNK-c44f4be0-11
0.342
CHA-KIN-45d1307a-3
0.342
NIM-UNI-ed9fc491-3
0.328
CHA-KIN-7308df58-2
0.325
MAK-UNK-c44f4be0-9
0.314
MAK-UNK-c44f4be0-10
0.313
MAK-UNK-c44f4be0-7
0.311
CHA-KIN-7308df58-1
0.311
TRY-UNI-9f475305-11
0.306
CHA-KIN-45d1307a-2
0.299
CHA-KIN-45d1307a-1
0.297
WIL-UNI-1faa9b10-4
0.296
MAR-TRE-e86a56b5-47
0.296
MAR-TRE-e86a56b5-55
0.295
MAK-UNK-c44f4be0-8
0.293
NIC-BIO-a68395b7-4
0.291
MAR-TRE-e86a56b5-31
0.287
AAR-POS-d2a4d1df-16
0.286
VOL-CHA-d666e5ae-2
0.284
MAR-TRE-e86a56b5-69
0.284
MAR-TRE-e86a56b5-63
0.284
MAR-TRE-fffca54f-96
0.284
TRY-UNI-9f475305-10
0.283
VOL-CHA-d666e5ae-4
0.282
MAR-TRE-e86a56b5-58
0.281
NIC-BIO-a68395b7-3
0.280
MAR-TRE-e86a56b5-98
0.280
CHA-KIN-7308df58-3
0.279
MAK-UNK-c44f4be0-3
0.278
MAK-UNK-c44f4be0-4
0.276
MAR-TRE-e86a56b5-62
0.276
MAR-TRE-e86a56b5-81
0.275
MAR-TRE-e86a56b5-77
0.270
NIC-BIO-a68395b7-5
0.269
NIM-UNI-ed9fc491-1
0.267
MAK-UNK-c44f4be0-14
0.264
NIC-BIO-a68395b7-1
0.263
WIL-UNI-1faa9b10-9
0.263
MAR-TRE-e86a56b5-45
0.263
MAR-TRE-e86a56b5-56
0.263
NIC-BIO-a68395b7-2
0.261
MAR-TRE-e86a56b5-73
0.259
CHA-KIN-87c379ac-1
0.259
MAR-TRE-e86a56b5-67
0.257
VOL-CHA-d666e5ae-1
0.257
WIL-LEE-1f71e281-7
0.255
NIM-UNI-ed9fc491-2
0.254
ABH-HOE-1cbf6cd9-2
0.254
MAR-TRE-e86a56b5-46
0.250
MAR-TRE-e86a56b5-99
0.250
MAR-TRE-4f39ef4a-25
0.248
WIL-UNI-1faa9b10-42
0.248
SHA-THE-408e7524-23
0.245
BAR-COM-4e090d3a-7
0.244
MAR-TRE-e86a56b5-97
0.241
MAR-TRE-e86a56b5-50
0.241
MAR-TRE-e86a56b5-11
0.240
ARI-TAT-5792557e-28
0.239
JOK-SYG-a0b0bf84-1
0.236
MAR-TRE-85681e92-51
0.234
MAR-TRE-e86a56b5-6
0.234
SHA-THE-408e7524-8
0.234
FAR-UNI-124f5ee8-1
0.233
DAV-CRI-25b90884-1
0.233
MAK-UNK-f0bfc2e0-3
0.232
HAO-BIO-c9aafde3-4
0.231
MIC-UNK-c66144cb-2
0.231
ALP-POS-8df010a9-1
0.231
BAR-COM-4e090d3a-38
0.230
JUS-UNI-57125a42-1
0.230
BAR-COM-0f94fc3d-7
0.230
WIL-UNI-1faa9b10-11
0.229
SHA-THE-408e7524-9
0.229
BEN-DND-93268d01-16
0.227
MAR-TRE-e86a56b5-28
0.227
VOL-CHA-d666e5ae-5
0.227
MAR-UCB-195bc32d-14
0.227
MAR-TRE-a9136c7b-12
0.227
MAR-TRE-85681e92-70
0.226
FAR-UNI-a04c1544-1
0.226
VOL-CHA-d666e5ae-3
0.226
BAR-COM-4e090d3a-18
0.226
MAR-TRE-e86a56b5-19
0.223
WIL-UNI-1faa9b10-31
0.223
BAR-COM-4e090d3a-46
0.221
MAR-TRE-e86a56b5-36
0.221
MAK-UNK-c44f4be0-5
0.220
JUA-UNI-b93289a4-6
0.220
CHA-KIN-87c379ac-2
0.219