Molecular Properties | |
SMILES: | CCc1cnn(C)c1NC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CNS(N)(=O)=O)c1ccccc1 |
MW: | 529.623 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 6 |
Rotatable Bonds: | 11 |
TPSA: | 180.47 |
cLogP: | 1.0715 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
Dipeptide
CHA-KIN-bfe9b535-7
0.690
CHA-KIN-bfe9b535-2
0.644
CHA-KIN-bfe9b535-4
0.641
CHA-KIN-bfe9b535-1
0.626
CHA-KIN-bfe9b535-8
0.626
CHA-KIN-bfe9b535-5
0.606
CHA-KIN-bfe9b535-6
0.604
CHA-KIN-bfe9b535-9
0.598
NIM-UNI-ed9fc491-4
0.359
MAK-UNK-c44f4be0-11
0.357
MAR-TRE-e86a56b5-66
0.347
CHA-KIN-45d1307a-2
0.344
MAK-UNK-10799360-26
0.341
CHA-KIN-7308df58-1
0.333
CHA-KIN-45d1307a-1
0.331
NIM-UNI-ed9fc491-3
0.330
MAK-UNK-c44f4be0-9
0.328
MAK-UNK-c44f4be0-10
0.327
CHA-KIN-45d1307a-3
0.311
MAK-UNK-c44f4be0-7
0.303
CHA-KIN-7308df58-3
0.302
MAK-UNK-c44f4be0-3
0.301
MAR-TRE-e86a56b5-47
0.299
MAR-TRE-e86a56b5-55
0.298
CHA-KIN-7308df58-2
0.296
MAK-UNK-c44f4be0-8
0.295
MAR-TRE-e86a56b5-31
0.290
AAR-POS-d2a4d1df-16
0.288
NIC-BIO-a68395b7-1
0.288
MAR-TRE-e86a56b5-69
0.287
VOL-CHA-d666e5ae-4
0.284
TRY-UNI-9f475305-11
0.284
NIC-BIO-a68395b7-3
0.283
NIC-BIO-a68395b7-4
0.282
CHA-KIN-87c379ac-1
0.279
MAK-UNK-c44f4be0-4
0.278
MAR-TRE-4f39ef4a-52
0.278
MAK-UNK-c44f4be0-14
0.277
HAO-BIO-c9aafde3-4
0.276
TRY-UNI-9f475305-10
0.274
MAR-TRE-e86a56b5-63
0.274
MAR-TRE-fffca54f-96
0.274
NIC-BIO-a68395b7-5
0.271
MAR-TRE-e86a56b5-58
0.271
MAR-TRE-e86a56b5-98
0.270
BAR-COM-4e090d3a-7
0.267
MAR-TRE-e86a56b5-50
0.267
MAR-TRE-4f39ef4a-40
0.267
MAR-TRE-e86a56b5-62
0.265
MAR-TRE-e86a56b5-81
0.265
VOL-CHA-d666e5ae-2
0.264
NIC-BIO-a68395b7-2
0.264
BAR-COM-0f94fc3d-7
0.263
CHA-KIN-87c379ac-2
0.262
MAR-TRE-4f39ef4a-25
0.261
MAR-TRE-e86a56b5-6
0.260
MAR-TRE-85681e92-51
0.260
NIM-UNI-ed9fc491-1
0.259
NIM-UNI-ed9fc491-2
0.256
ABH-HOE-1cbf6cd9-2
0.255
MAR-TRE-e86a56b5-11
0.255
MAR-TRE-e86a56b5-45
0.253
MAR-TRE-e86a56b5-56
0.253
MAR-TRE-e86a56b5-99
0.253
MAR-TRE-85681e92-70
0.252
ARI-TAT-5792557e-28
0.252
JUS-UNI-57125a42-1
0.252
BAR-COM-4e090d3a-38
0.252
MAR-TRE-e86a56b5-73
0.250
MAR-TRE-e86a56b5-77
0.250
VOL-CHA-d666e5ae-1
0.248
MAR-TRE-e86a56b5-67
0.248
FAR-UNI-124f5ee8-1
0.246
MAR-TRE-e86a56b5-39
0.245
SHA-THE-408e7524-8
0.244
MAK-UNK-f0bfc2e0-3
0.244
MAR-TRE-e86a56b5-97
0.243
BAR-COM-4e090d3a-28
0.242
MAR-TRE-e86a56b5-46
0.241
MAR-TRE-8190bb11-93
0.239
FAR-UNI-a04c1544-1
0.239
BAR-COM-4e090d3a-18
0.238
MAR-TRE-9d18ae8c-20
0.238
MAR-SOS-c7881798-7
0.237
MAR-SOS-82e3a7c7-4
0.237
SHA-THE-408e7524-16
0.237
MAR-TRE-e86a56b5-19
0.236
MAR-TRE-e86a56b5-15
0.236
MAR-TRE-e86a56b5-21
0.236
BAR-COM-4e090d3a-56
0.235
MAR-TRE-e86a56b5-84
0.235
MAR-SOS-82e3a7c7-11
0.235
MAR-SOS-c7881798-1
0.235
MAR-TRE-e86a56b5-37
0.234
WIL-LEE-1f71e281-7
0.234
JUA-UNI-b93289a4-6
0.234
MAR-SOS-82e3a7c7-5
0.233
MAR-SOS-c7881798-10
0.233
ARI-TAT-5792557e-29
0.233
MAK-UNK-27459e11-12
0.230