Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(OC2CCCN(Cc3ccccc3)C2C)cc1)C(=O)NCC#CBr |
MW: | 526.475 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 70.67 |
cLogP: | 3.6377 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
triple bond
Filter9_metal
Long aliphatic chain
Dipeptide
LON-WEI-8f408cad-3
MAK-UNK-1bb0b7ee-13
0.570
MAK-UNK-a7992eb3-18
0.566
MAK-UNK-a7992eb3-28
0.532
MAK-UNK-a7992eb3-30
0.509
MAK-UNK-a7992eb3-11
0.505
MAK-UNK-a7992eb3-29
0.485
MAK-UNK-a7992eb3-27
0.485
AAR-POS-d2a4d1df-16
0.477
MAK-UNK-a7992eb3-3
0.454
MAK-UNK-1bb0b7ee-8
0.423
NIC-BIO-7d400292-1
0.412
MAK-UNK-c44f4be0-10
0.404
MAK-UNK-a7992eb3-5
0.388
MAK-UNK-1bb0b7ee-11
0.388
MAK-UNK-c44f4be0-1
0.386
MAK-UNK-a7992eb3-25
0.384
MAK-UNK-c44f4be0-9
0.376
MAK-UNK-a7992eb3-21
0.365
MAK-UNK-c44f4be0-8
0.363
MAK-UNK-c44f4be0-2
0.362
MAK-UNK-6435e6c2-9
0.356
AAR-POS-0daf6b7e-26
0.356
NIC-BIO-3276ca7f-1
0.355
MAK-UNK-a7992eb3-20
0.355
NIC-BIO-b40446ce-1
0.355
MAK-UNK-1bb0b7ee-15
0.352
NIC-BIO-3276ca7f-2
0.352
NIC-BIO-a68395b7-1
0.350
MAK-UNK-a7992eb3-13
0.345
MAK-UNK-c44f4be0-11
0.345
MAK-UNK-1bb0b7ee-4
0.342
MAK-UNK-c44f4be0-14
0.333
MAK-UNK-c44f4be0-3
0.333
NIC-BIO-3276ca7f-3
0.333
MAK-UNK-c44f4be0-4
0.331
MAR-SOS-c7881798-11
0.330
MAR-SOS-82e3a7c7-10
0.330
MAK-UNK-c44f4be0-7
0.325
MAR-SOS-c7881798-9
0.319
MAR-SOS-82e3a7c7-9
0.319
MAK-UNK-a7992eb3-14
0.316
SAL-INS-68b48d12-12
0.315
NIM-UNI-ed9fc491-2
0.312
SAL-INS-68b48d12-4
0.309
NIC-BIO-a68395b7-4
0.305
AAR-POS-d2a4d1df-43
0.304
NIC-BIO-7d400292-4
0.304
NIM-UNI-ed9fc491-1
0.303
NIC-BIO-a68395b7-2
0.298
SAL-INS-68b48d12-2
0.297
NIM-UNI-ed9fc491-3
0.296
VOL-CHA-d666e5ae-4
0.295
NIC-BIO-a68395b7-5
0.294
NIC-BIO-a68395b7-3
0.294
SAL-INS-a5f8a8b9-2
0.294
MAK-UNK-c44f4be0-5
0.293
NIM-UNI-ed9fc491-4
0.292
MAK-UNK-a7992eb3-6
0.291
MAR-TRE-e86a56b5-64
0.290
MAK-UNK-b1d4dcd7-6
0.284
MAK-UNK-1bb0b7ee-3
0.282
SER-UNI-400afb01-4
0.281
NIC-BIO-b40446ce-2
0.280
MAK-UNK-1bb0b7ee-10
0.279
MAK-UNK-1bb0b7ee-7
0.278
MAK-UNK-10799360-26
0.278
JAN-GHE-f375bf5b-1
0.275
MAR-TRE-e86a56b5-83
0.274
SAD-SAT-c989feaa-4
0.274
MAK-UNK-b1d4dcd7-9
0.273
NIC-BIO-3276ca7f-4
0.272
FAR-UNI-a04c1544-1
0.271
MAK-UNK-b1d4dcd7-10
0.270
GIA-UNK-595fac82-5
0.270
JUA-UNI-a9dfaed1-6
0.269
JUA-UNI-b93289a4-6
0.267
NIC-BIO-7d400292-3
0.265
ARI-TAT-5792557e-29
0.263
NIM-UNI-36e12f95-2
0.263
VOL-CHA-d666e5ae-2
0.262
TRY-UNI-9f475305-10
0.261
MAR-SOS-82e3a7c7-8
0.260
MAR-SOS-c7881798-5
0.260
TRY-UNI-9f475305-11
0.259
NIC-BIO-3276ca7f-7
0.259
BAR-COM-4e090d3a-19
0.259
AAR-POS-d2a4d1df-42
0.258
MAT-POS-59e2c5d7-1
0.258
NIC-BIO-7d400292-2
0.255
FAR-UNI-124f5ee8-1
0.254
FRA-BIO-8bf1eac9-8
0.254
SAL-INS-68b48d12-6
0.254
MAK-UNK-b1d4dcd7-5
0.252
AAR-POS-fca48359-12
0.250
FAR-UNI-9a76d7b5-1
0.250
MAK-UNK-f983951f-22
0.250
ARI-TAT-5792557e-28
0.250
YUN-WES-64c64eb2-6
0.248
YUN-WES-58b0dbae-8
0.248
MAR-TRE-92684b97-70
0.248