Molecular Properties | |
SMILES: | CC(=O)NC(C(=O)NCC#CBr)C(c1ccc(O)cc1)S(=O)(=O)NCCc1ccccc1 |
MW: | 522.421 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 10 |
TPSA: | 124.6 |
cLogP: | 1.5721 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
triple bond
Filter9_metal
Long aliphatic chain
Hetero_hetero
Dipeptide
MAK-UNK-c44f4be0-9
0.500
MAK-UNK-c44f4be0-8
0.495
MAK-UNK-c44f4be0-2
0.490
MAK-UNK-c44f4be0-1
0.475
MAK-UNK-c44f4be0-7
0.463
MAK-UNK-c44f4be0-6
0.458
MAK-UNK-c44f4be0-14
0.402
MAK-UNK-c44f4be0-10
0.396
AAR-POS-d2a4d1df-16
0.388
MAK-UNK-c44f4be0-4
0.381
MAK-UNK-c44f4be0-11
0.373
MAK-UNK-1bb0b7ee-13
0.368
MAK-UNK-1bb0b7ee-3
0.366
MAT-POS-59e2c5d7-1
0.364
AAR-POS-d2a4d1df-42
0.364
MAK-UNK-c44f4be0-3
0.358
MAK-UNK-27459e11-2
0.358
MAK-UNK-a7992eb3-21
0.355
MAK-UNK-1bb0b7ee-7
0.355
AAR-POS-d2a4d1df-1
0.333
ANT-DIA-b7f58f21-4
0.333
NIC-BIO-7d400292-1
0.330
MAK-UNK-27459e11-4
0.329
MAK-UNK-a7992eb3-27
0.320
MAK-UNK-1bb0b7ee-14
0.310
MAK-UNK-31051d4e-4
0.307
MAK-UNK-a7992eb3-14
0.303
MAK-UNK-27459e11-3
0.301
MAK-UNK-1bb0b7ee-10
0.301
SUG-SAT-4be79373-2
0.300
MAK-UNK-a7992eb3-6
0.299
MAK-UNK-a7992eb3-29
0.298
MAK-UNK-27459e11-1
0.298
MAK-UNK-a7992eb3-26
0.293
MAK-UNK-b2c98f02-5
0.290
NIC-BIO-3276ca7f-2
0.287
AAR-POS-d2a4d1df-43
0.286
MAK-UNK-a7992eb3-18
0.283
NIC-BIO-b40446ce-1
0.280
NIC-BIO-3276ca7f-1
0.279
MAK-UNK-8145c7a0-3
0.278
MAK-UNK-07311286-1
0.277
MAK-UNK-07311286-2
0.277
SUG-SAT-4be79373-4
0.276
MAK-UNK-194150d3-11
0.276
MAK-UNK-a7992eb3-30
0.276
MIH-UNI-6b9ca91a-6
0.273
DAV-CRI-25b90884-4
0.272
NIC-BIO-3276ca7f-3
0.271
DAV-CRI-25b90884-3
0.270
MAK-UNK-a7992eb3-28
0.269
DAV-CRI-25b90884-2
0.267
ALE-UNK-fca05062-4
0.264
LAU-FAC-e2c8b4ad-1
0.263
NIC-BIO-a68395b7-4
0.263
DAV-CRI-25b90884-1
0.260
MAK-UNK-194150d3-1
0.260
MAK-UNK-31051d4e-5
0.259
MAT-POS-ea426761-3
0.259
ANT-DIA-b7f58f21-2
0.259
MAK-UNK-194150d3-12
0.258
ALE-UNK-fca05062-3
0.258
MAK-UNK-a7992eb3-25
0.258
NIM-UNI-ed9fc491-3
0.257
DUN-NEW-f8ce3686-23
0.255
MAR-TRE-e86a56b5-55
0.253
MAK-UNK-194150d3-7
0.253
SAL-INS-68b48d12-12
0.252
MAK-UNK-31051d4e-2
0.252
MAK-UNK-a7992eb3-11
0.252
MAK-UNK-b2c98f02-4
0.250
MAR-TRE-e86a56b5-63
0.250
MAR-TRE-fffca54f-96
0.250
MAK-UNK-b2c98f02-6
0.250
AAR-UNI-c25c2f1e-100
0.247
MAR-TRE-e86a56b5-98
0.247
SAL-INS-a5f8a8b9-2
0.246
BEN-DND-362d364a-1
0.245
MAK-UNK-b2c98f02-3
0.245
SAL-INS-68b48d12-4
0.245
LON-WEI-b2874fec-22
0.245
LAU-FAC-8471e121-1
0.245
NIM-UNI-ed9fc491-4
0.243
MAK-UNK-b2c98f02-1
0.243
MAK-UNK-b2c98f02-9
0.243
SUG-SAT-4be79373-5
0.243
MAK-UNK-31051d4e-1
0.243
VAL-ASS-db6a4353-1
0.242
MAK-UNK-f983951f-22
0.241
MAR-TRE-74c6519b-100
0.241
MAK-UNK-31051d4e-3
0.241
MAK-UNK-194150d3-13
0.239
MAK-UNK-8145c7a0-7
0.239
MAK-UNK-b2c98f02-2
0.239
MAK-UNK-b2c98f02-7
0.239
NEL-UNI-1464a899-4
0.239
MAK-UNK-a7992eb3-3
0.238
NIC-BIO-a68395b7-5
0.237
DAN-MCD-1a622181-1
0.237
SAL-INS-68b48d12-2
0.237