Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(O)c(S(=O)(=O)NCCc2ccccc2)c1)C(=O)NCC#CBr |
MW: | 522.421 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 10 |
TPSA: | 124.6 |
cLogP: | 1.4324 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
Filter9_metal
Long aliphatic chain
Hetero_hetero
Dipeptide
MAK-UNK-c44f4be0-2
0.656
MAK-UNK-c44f4be0-9
0.537
NIC-BIO-7d400292-1
0.529
MAK-UNK-c44f4be0-8
0.515
MAK-UNK-c44f4be0-5
0.475
AAR-POS-d2a4d1df-16
0.465
MAK-UNK-c44f4be0-7
0.441
MAK-UNK-c44f4be0-14
0.426
MAK-UNK-c44f4be0-10
0.420
MAK-UNK-c44f4be0-4
0.404
MAK-UNK-a7992eb3-29
0.402
NIC-BIO-3276ca7f-2
0.394
MAK-UNK-a7992eb3-27
0.386
MAK-UNK-a7992eb3-28
0.386
MAK-UNK-a7992eb3-26
0.386
MAK-UNK-c44f4be0-6
0.383
MAK-UNK-c44f4be0-11
0.383
MAK-UNK-c44f4be0-3
0.382
MAK-UNK-a7992eb3-18
0.373
MAK-UNK-07311286-2
0.362
MAK-UNK-a7992eb3-30
0.357
NIC-BIO-7d400292-3
0.350
MAK-UNK-07311286-1
0.347
NIC-BIO-3276ca7f-3
0.346
NIC-BIO-3276ca7f-1
0.343
NIC-BIO-b40446ce-1
0.343
MAK-UNK-a7992eb3-11
0.342
NIC-BIO-7d400292-2
0.340
MAK-UNK-a7992eb3-25
0.331
MAK-UNK-a7992eb3-3
0.331
NIC-BIO-7d400292-4
0.327
SAL-INS-68b48d12-2
0.319
AAR-POS-d2a4d1df-43
0.318
ANT-DIA-b7f58f21-4
0.317
SAL-INS-68b48d12-12
0.315
SAL-INS-68b48d12-4
0.308
DUN-NEW-f8ce3686-23
0.306
NIC-BIO-3276ca7f-7
0.305
MIH-UNI-6b9ca91a-6
0.304
SAL-INS-a5f8a8b9-2
0.304
NIC-BIO-a68395b7-4
0.304
AAR-POS-d2a4d1df-1
0.301
MAK-UNK-27459e11-4
0.299
MAK-UNK-27459e11-2
0.297
NIC-BIO-a68395b7-5
0.293
MAK-UNK-194150d3-11
0.291
MAK-UNK-31051d4e-3
0.291
MAK-UNK-27459e11-3
0.289
MAK-UNK-1bb0b7ee-13
0.286
NIC-BIO-a68395b7-2
0.284
MAK-UNK-b2c98f02-1
0.281
NIC-BIO-a68395b7-3
0.280
MAK-UNK-31051d4e-2
0.279
JUA-UNI-b93289a4-6
0.278
NIC-BIO-b40446ce-2
0.278
SUG-SAT-4be79373-2
0.278
MAK-UNK-1bb0b7ee-7
0.276
MAK-UNK-b2c98f02-2
0.276
MAK-UNK-b2c98f02-4
0.276
NIM-UNI-ed9fc491-2
0.275
MAK-UNK-a7992eb3-21
0.275
NIC-BIO-a68395b7-1
0.274
MAK-UNK-b2c98f02-3
0.272
MAK-UNK-8145c7a0-5
0.272
MAK-UNK-27459e11-1
0.272
SAL-INS-68b48d12-6
0.271
NIC-BIO-3276ca7f-4
0.270
MAT-POS-59e2c5d7-1
0.270
AAR-POS-d2a4d1df-42
0.270
SUG-SAT-4be79373-1
0.265
MAK-UNK-f983951f-22
0.261
BEN-DND-362d364a-1
0.261
NIM-UNI-ed9fc491-3
0.261
SUG-SAT-4be79373-5
0.259
MAR-TRE-e86a56b5-41
0.257
MAK-UNK-8145c7a0-2
0.256
JUA-UNI-a9dfaed1-6
0.255
NIM-UNI-ed9fc491-1
0.255
SAL-INS-68b48d12-8
0.254
FAR-UNI-124f5ee8-1
0.252
MAK-UNK-a7992eb3-6
0.250
ALE-UNK-fca05062-3
0.250
SAL-INS-68b48d12-10
0.248
NIM-UNI-ed9fc491-4
0.248
MAK-UNK-8145c7a0-1
0.248
MAK-UNK-1bb0b7ee-3
0.248
MAK-UNK-b2c98f02-5
0.248
MAK-UNK-31051d4e-1
0.248
MAK-UNK-194150d3-4
0.248
TRY-UNI-9f475305-10
0.248
ARI-TAT-5792557e-28
0.248
SUG-SAT-4be79373-3
0.246
TRY-UNI-9f475305-11
0.245
FAR-UNI-a04c1544-1
0.245
IND-SYN-8bc6954a-2
0.242
MAR-TRE-fffca54f-96
0.242
MAR-TRE-e86a56b5-63
0.242
NAU-LAT-81109c57-3
0.241
MAK-UNK-194150d3-1
0.241
MAK-UNK-1bb0b7ee-14
0.240