Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2cc(N3CCN(C(=O)Cc4c[nH]c5ncccc45)CC3)c(F)cc12 |
MW: | 462.529 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.12 |
cLogP: | 2.7532 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-10572812-12
0.657
MAK-UNK-10572812-11
0.606
MAK-UNK-10572812-9
0.550
MAK-UNK-10572812-10
0.548
MAK-UNK-10572812-8
0.544
AAR-POS-d2a4d1df-20
0.505
MAK-UNK-10572812-1
0.496
MAK-UNK-10572812-7
0.492
MAK-UNK-de8f6d00-5
0.478
MAK-UNK-10572812-2
0.475
IND-SYN-3aa4e743-1
0.474
IND-SYN-6c8299e8-5
0.474
SWA-SYN-6423ea73-4
0.467
SWA-SYN-d2e6fa14-4
0.467
MAK-UNK-de8f6d00-6
0.462
MAK-UNK-de8f6d00-2
0.461
NIC-BIO-25446079-4
0.460
NIC-BIO-25446079-2
0.455
MAK-UNK-de8f6d00-1
0.452
MAK-UNK-10572812-6
0.444
MAK-UNK-de8f6d00-7
0.444
MAK-UNK-de8f6d00-3
0.443
MAK-UNK-de8f6d00-8
0.443
NAU-LAT-81109c57-7
0.439
SAD-SAT-f25ee457-5
0.433
SWA-SYN-6423ea73-10
0.431
SWA-SYN-d2e6fa14-9
0.431
MAR-TRE-3159af1a-40
0.430
MAR-TRE-3159af1a-90
0.430
MAR-TRE-3159af1a-37
0.417
MAR-TRE-3159af1a-70
0.412
SHR-UNK-cde60afe-1
0.408
MAK-UNK-10572812-16
0.408
NIC-BIO-ec630548-2
0.404
NIC-BIO-29f4a211-1
0.393
MAR-TRE-3159af1a-2
0.385
MAK-UNK-10572812-14
0.383
NIC-BIO-96ee2ca4-1
0.383
NIC-BIO-ec630548-1
0.382
NIC-BIO-29f4a211-2
0.382
MAK-UNK-10572812-17
0.381
MAK-UNK-10572812-3
0.377
SAD-SAT-f25ee457-10
0.376
TAM-UNI-c140e31a-5
0.376
NIC-BIO-ec630548-4
0.375
ASH-UNK-40b46b30-14
0.374
ASH-UNK-40b46b30-18
0.373
NIC-BIO-ec630548-3
0.372
MAR-TRE-3159af1a-66
0.372
MAK-UNK-10572812-15
0.367
TAM-UNI-c140e31a-8
0.367
NIC-BIO-96ee2ca4-2
0.366
MAK-UNK-b1917cc8-5
0.365
NIC-BIO-f814dd3d-1
0.364
NIC-BIO-25446079-3
0.361
GAB-FRA-261eb2a6-1
0.361
TAM-UNI-c140e31a-4
0.358
AAR-POS-d2a4d1df-2
0.356
MAR-TRE-3159af1a-16
0.355
TAM-UNI-c140e31a-17
0.352
TAM-UNI-c140e31a-18
0.352
MAR-TRE-3159af1a-9
0.352
JAR-IMP-ed466bb3-19
0.352
TRY-UNI-1fd04853-7
0.349
JOH-MSK-a63bdd1d-4
0.347
MAR-UCB-195bc32d-16
0.347
JOH-MSK-a63bdd1d-1
0.346
NIC-BIO-25446079-1
0.346
SAN-PRS-3c4a6997-1
0.343
MAK-UNK-be5ffcbc-6
0.342
TRY-UNI-1fd04853-8
0.339
MAR-TRE-3159af1a-33
0.339
RED-RED-10c9212c-49
0.339
ZAC-WAB-2baeb60f-1
0.339
ZAC-WAB-d55a3c2e-1
0.339
MAR-UCB-195bc32d-13
0.337
MAR-TRE-3159af1a-8
0.336
TRY-UNI-1fd04853-5
0.336
MAR-TRE-3159af1a-84
0.336
MAR-TRE-3159af1a-1
0.336
NIC-UNI-f08e2453-1
0.336
NIC-BIO-3276ca7f-1
0.333
TRY-UNI-1fd04853-9
0.333
KAL-WAB-eb347ebe-1
0.333
NAU-LAT-81109c57-6
0.333
DUN-NEW-f8ce3686-6
0.331
MAR-TRE-3159af1a-21
0.331
MAR-TRE-3159af1a-44
0.331
SAN-PRS-3c4a6997-2
0.330
DAR-DIA-23aa0b97-1
0.327
MAR-TRE-3159af1a-41
0.327
JOH-MSK-a63bdd1d-2
0.327
DAR-DIA-23aa0b97-12
0.327
WIL-LEE-364b6ea8-13
0.327
SAD-SAT-f25ee457-6
0.325
ANT-DIA-3c79be55-1
0.324
TRY-UNI-1fd04853-11
0.324
SID-ELM-1f105489-1
0.324
MAR-UCB-195bc32d-21
0.324
JOH-MSK-35a8745a-1
0.324