Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(N3CCN(C(=O)Cc4c[nH]c5ncccc45)CC3)cc(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-10572812-13
0.657
MAK-UNK-10572812-11
0.602
MAK-UNK-be5ffcbc-6
0.581
MAK-UNK-10572812-10
0.571
NAU-LAT-81109c57-7
0.558
MAK-UNK-10572812-8
0.540
MAK-UNK-10572812-9
0.532
AAR-POS-d2a4d1df-20
0.516
MAK-UNK-10572812-2
0.496
MAK-UNK-10572812-1
0.492
MAK-UNK-de8f6d00-5
0.487
IND-SYN-3aa4e743-1
0.484
IND-SYN-6c8299e8-5
0.484
MAK-UNK-de8f6d00-2
0.482
NIC-BIO-25446079-4
0.469
NIC-BIO-25446079-2
0.464
MAK-UNK-10572812-7
0.463
SWA-SYN-6423ea73-4
0.462
SWA-SYN-d2e6fa14-4
0.462
MAK-UNK-de8f6d00-6
0.457
MAK-UNK-de8f6d00-7
0.452
MAK-UNK-de8f6d00-3
0.451
MAK-UNK-de8f6d00-1
0.447
SAD-SAT-f25ee457-5
0.441
SHR-UNK-cde60afe-1
0.440
MAK-UNK-de8f6d00-8
0.439
MAR-TRE-3159af1a-40
0.438
NAU-LAT-81109c57-6
0.426
SWA-SYN-d2e6fa14-9
0.426
SWA-SYN-6423ea73-10
0.426
MAR-TRE-3159af1a-90
0.425
MAK-UNK-10572812-6
0.417
JOK-SYG-302da050-1
0.413
DAR-DIA-fb20be43-11
0.413
NAU-LAT-f723e322-1
0.413
STU-CHA-bc0a9883-1
0.413
MAR-TRE-3159af1a-37
0.411
MAK-UNK-10572812-16
0.403
NIR-THE-0d6461ce-3
0.402
ASH-UNK-40b46b30-7
0.402
WAR-XCH-e55cba98-3
0.402
TAM-UNI-c140e31a-3
0.400
MAK-UNK-be5ffcbc-9
0.398
GAB-REV-4a4e2ff3-7
0.395
MAR-TRE-3159af1a-70
0.395
GAB-REV-4a4e2ff3-21
0.394
NIR-THE-0d6461ce-2
0.393
ASH-UNK-40b46b30-18
0.391
TAM-UNI-c140e31a-2
0.391
NIC-BIO-96ee2ca4-1
0.389
TAM-UNI-c140e31a-4
0.388
NIC-BIO-29f4a211-1
0.387
WAR-XCH-e55cba98-2
0.387
NIC-BIO-ec630548-2
0.385
NAU-LAT-f723e322-2
0.384
TAM-UNI-c140e31a-22
0.383
GAB-REV-4a4e2ff3-14
0.383
MAK-UNK-be5ffcbc-2
0.383
TAM-UNI-c140e31a-5
0.383
NAU-LAT-81109c57-5
0.382
ASH-UNK-40b46b30-14
0.380
MAK-UNK-be5ffcbc-4
0.380
MAR-TRE-3159af1a-2
0.379
GAB-REV-4a4e2ff3-4
0.378
GAB-REV-4a4e2ff3-11
0.378
MAK-UNK-10572812-14
0.378
NIC-BIO-ec630548-1
0.376
SAM-UNK-903735bd-1
0.376
NIC-BIO-29f4a211-2
0.376
MAK-UNK-10572812-17
0.376
TAM-UNI-c140e31a-8
0.373
MAK-UNK-b1917cc8-5
0.373
MAR-TRE-3159af1a-21
0.370
TAM-UNI-c140e31a-17
0.370
TAM-UNI-c140e31a-18
0.370
NIC-BIO-ec630548-4
0.369
NIC-BIO-25446079-3
0.368
PET-SGC-1c3a473d-1
0.368
GAB-REV-4a4e2ff3-5
0.368
GAB-REV-4a4e2ff3-2
0.367
MAR-TRE-3159af1a-84
0.366
NAU-LAT-81109c57-3
0.366
GAB-REV-4a4e2ff3-8
0.366
NIC-BIO-ec630548-3
0.366
MAR-TRE-3159af1a-1
0.364
DUN-NEW-f8ce3686-24
0.363
GAB-REV-4a4e2ff3-3
0.362
MAK-UNK-ec98eaf6-33
0.362
WIL-LEE-1f71e281-6
0.362
MAK-UNK-10572812-3
0.362
MAR-TRE-3159af1a-16
0.361
MAK-UNK-ec98eaf6-34
0.361
GAB-REV-4a4e2ff3-13
0.359
SAD-SAT-f25ee457-10
0.359
ELE-IMP-dfb36048-1
0.358
SIM-DEM-265738e1-1
0.358
PET-SGC-f818f65b-1
0.358
TAM-UNI-c140e31a-15
0.358
SAM-UNK-903735bd-2
0.358
DUN-NEW-f8ce3686-6
0.358