Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(O)cc1)(C(=O)NCC#CBr)S(=O)(=O)NCCc1ccccc1 |
MW: | 522.421 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 10 |
TPSA: | 124.6 |
cLogP: | 1.4012 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
triple bond
Filter9_metal
Long aliphatic chain
Hetero_hetero
Dipeptide
MAK-UNK-c44f4be0-5
0.458
MAK-UNK-c44f4be0-9
0.458
MAK-UNK-c44f4be0-8
0.440
MAK-UNK-c44f4be0-2
0.396
MAK-UNK-c44f4be0-7
0.396
MAK-UNK-c44f4be0-1
0.383
MAK-UNK-c44f4be0-14
0.366
MAK-UNK-c44f4be0-10
0.360
MAK-UNK-c44f4be0-4
0.349
MAK-UNK-c44f4be0-11
0.340
AAR-POS-d2a4d1df-16
0.333
MAK-UNK-c44f4be0-3
0.327
AAR-POS-d2a4d1df-1
0.325
ANT-DIA-b7f58f21-4
0.325
MAK-UNK-27459e11-4
0.321
MAK-UNK-27459e11-2
0.318
MAK-UNK-27459e11-3
0.310
MAK-UNK-27459e11-1
0.306
MIH-UNI-6b9ca91a-6
0.281
MAK-UNK-07311286-1
0.271
MAK-UNK-194150d3-1
0.267
MAK-UNK-31051d4e-4
0.264
DUN-NEW-f8ce3686-23
0.262
MAK-UNK-194150d3-11
0.259
MAK-UNK-31051d4e-3
0.259
MAK-UNK-07311286-2
0.258
NIC-BIO-7d400292-1
0.257
MAK-UNK-b2c98f02-6
0.257
DAN-MCD-9950a804-1
0.254
DAN-MCD-1a622181-1
0.254
MAK-UNK-194150d3-12
0.253
MAK-UNK-b2c98f02-3
0.252
MAK-UNK-b2c98f02-9
0.250
MAK-UNK-194150d3-13
0.247
MAK-UNK-a7992eb3-21
0.246
MAK-UNK-b2c98f02-7
0.246
MAK-UNK-a7992eb3-29
0.245
MAT-POS-b5746674-58
0.245
SUG-SAT-4be79373-2
0.245
NIC-BIO-3276ca7f-2
0.245
ALE-UNK-fca05062-4
0.244
MAK-UNK-31051d4e-6
0.243
MAR-TRE-ebcc4ad6-35
0.241
ALE-UNK-fca05062-3
0.240
MAK-UNK-b2c98f02-1
0.239
MAK-UNK-b2c98f02-5
0.239
ANT-DIA-b7f58f21-2
0.239
MAK-UNK-a7992eb3-18
0.238
MAT-POS-b5746674-60
0.238
MAR-TRE-74c6519b-100
0.236
MAK-UNK-31051d4e-2
0.236
MAK-UNK-a7992eb3-26
0.236
MAK-UNK-194150d3-7
0.235
MAK-UNK-1bb0b7ee-13
0.235
MAK-UNK-b2c98f02-4
0.235
MAR-TRE-e86a56b5-55
0.235
MAT-POS-ea426761-3
0.233
DAN-MCD-34fd4f29-1
0.233
MAR-TRE-4f39ef4a-41
0.232
MAK-UNK-31051d4e-5
0.232
MAK-UNK-1bb0b7ee-7
0.231
MAK-UNK-8145c7a0-5
0.230
BEN-DND-362d364a-1
0.230
NIM-UNI-ed9fc491-3
0.230
MAR-TRE-e86a56b5-63
0.230
MAR-TRE-fffca54f-96
0.230
MAK-UNK-a7992eb3-28
0.229
MAR-TRE-e86a56b5-97
0.229
MAK-UNK-1bb0b7ee-3
0.228
SUG-SAT-4be79373-5
0.227
MAK-UNK-27459e11-9
0.227
MAK-UNK-31051d4e-1
0.227
MAK-UNK-b2c98f02-8
0.227
MAK-UNK-194150d3-4
0.226
MAR-TRE-4f39ef4a-55
0.225
SUG-SAT-4be79373-3
0.225
SUG-SAT-4be79373-4
0.225
CHA-KIN-bfe9b535-1
0.225
VOL-CHA-d666e5ae-5
0.224
MAK-UNK-b2c98f02-2
0.224
SUG-SAT-4be79373-1
0.223
MAK-UNK-194150d3-8
0.222
NIC-BIO-a68395b7-4
0.221
MAR-TRE-e86a56b5-69
0.221
NIC-BIO-a68395b7-5
0.220
NEL-UNI-1464a899-4
0.220
MAK-UNK-a7992eb3-30
0.220
NIC-BIO-b40446ce-1
0.219
MAT-POS-b5746674-51
0.219
MAK-UNK-194150d3-16
0.219
NIM-UNI-ed9fc491-4
0.218
MAK-UNK-f983951f-13
0.218
LON-WEI-b2874fec-22
0.218
MAK-UNK-a7992eb3-27
0.218
MAK-UNK-10799360-26
0.218
MAK-UNK-8145c7a0-1
0.217
MAK-UNK-8145c7a0-3
0.217
MAR-TRE-e86a56b5-66
0.216
AAR-POS-d2a4d1df-42
0.216
MAK-UNK-27459e11-16
0.216