Molecular Properties | |
SMILES: | CC(=O)NCCc1c(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)[nH]c2ccc(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
0.571
MAK-UNK-10572812-11
0.566
MAK-UNK-10572812-9
0.554
MAK-UNK-10572812-13
0.548
MAK-UNK-10572812-8
0.548
MAK-UNK-10572812-1
0.538
MAK-UNK-10572812-2
0.530
AAR-POS-d2a4d1df-20
0.495
MAK-UNK-10572812-7
0.484
MAK-UNK-de8f6d00-2
0.478
MAK-UNK-de8f6d00-3
0.474
IND-SYN-6c8299e8-5
0.465
IND-SYN-3aa4e743-1
0.465
MAK-UNK-de8f6d00-5
0.458
NIC-BIO-25446079-4
0.451
MAK-UNK-de8f6d00-7
0.449
MAK-UNK-10572812-6
0.449
MAK-UNK-de8f6d00-8
0.448
NIC-BIO-25446079-2
0.446
SWA-SYN-6423ea73-4
0.445
SWA-SYN-d2e6fa14-4
0.445
SWA-SYN-6423ea73-10
0.436
SWA-SYN-d2e6fa14-9
0.436
MAK-UNK-de8f6d00-1
0.432
MAR-TRE-3159af1a-37
0.422
MAK-UNK-10572812-14
0.421
SAN-PRS-3c4a6997-5
0.418
SAD-SAT-f25ee457-5
0.411
MAR-TRE-3159af1a-90
0.409
MAR-TRE-3159af1a-40
0.409
NAU-LAT-81109c57-7
0.407
MAK-UNK-de8f6d00-6
0.407
MAR-TRE-3159af1a-70
0.405
MAK-UNK-10572812-16
0.402
NIC-BIO-29f4a211-1
0.398
NIC-BIO-ec630548-2
0.396
NIC-BIO-29f4a211-2
0.387
NIC-BIO-ec630548-1
0.387
MAK-UNK-10572812-17
0.386
NIC-BIO-ec630548-4
0.381
ASH-UNK-40b46b30-14
0.379
MAR-TRE-3159af1a-2
0.378
NIC-BIO-ec630548-3
0.377
NIC-BIO-96ee2ca4-1
0.376
MAK-UNK-10572812-15
0.372
MAR-TRE-3159af1a-16
0.372
MAK-UNK-10572812-3
0.371
SAD-SAT-f25ee457-10
0.370
TAM-UNI-c140e31a-5
0.370
ASH-UNK-40b46b30-18
0.367
GAB-FRA-261eb2a6-1
0.366
MAR-TRE-3159af1a-66
0.365
TAM-UNI-c140e31a-8
0.361
MAK-UNK-b1917cc8-5
0.358
NIC-BIO-f814dd3d-1
0.358
NIC-BIO-25446079-3
0.355
AAR-POS-d2a4d1df-2
0.350
MAR-TRE-3159af1a-21
0.347
SHR-UNK-cde60afe-1
0.346
MAR-TRE-3159af1a-33
0.345
MAR-TRE-3159af1a-1
0.341
TAM-UNI-c140e31a-4
0.341
KAL-WAB-eb347ebe-1
0.340
NIC-BIO-25446079-1
0.339
TRY-UNI-1fd04853-9
0.339
NIC-BIO-96ee2ca4-2
0.339
MAR-TRE-3159af1a-44
0.336
TAM-UNI-c140e31a-17
0.336
TAM-UNI-c140e31a-18
0.336
MAR-TRE-3159af1a-9
0.333
MAR-TRE-3159af1a-84
0.331
TRY-UNI-1fd04853-5
0.330
BEN-BAS-bb561ced-1
0.328
ANT-DIA-3c79be55-3
0.328
TRY-UNI-1fd04853-10
0.328
SID-ELM-1f105489-3
0.324
RED-RED-10c9212c-49
0.322
TRY-UNI-1fd04853-8
0.321
SAD-SAT-f25ee457-6
0.320
MAR-TRE-3159af1a-75
0.320
NIC-UNI-f08e2453-1
0.320
TRY-UNI-1fd04853-11
0.319
ANT-DIA-3c79be55-1
0.319
TRY-UNI-1fd04853-7
0.318
MAR-TRE-3159af1a-8
0.318
MAK-UNK-10572812-4
0.316
PET-SGC-fc67af9f-1
0.316
MAR-TRE-3159af1a-24
0.315
MAR-TRE-3159af1a-19
0.314
ZAC-WAB-d55a3c2e-1
0.311
ZAC-WAB-2baeb60f-1
0.311
NIC-BIO-3276ca7f-6
0.311
TRY-UNI-1fd04853-6
0.310
TRY-UNI-1fd04853-12
0.310
MAR-TRE-3159af1a-76
0.310
MAR-TRE-3159af1a-41
0.310
MAK-UNK-37f1d6fa-7
0.310
DAR-DIA-23aa0b97-12
0.310
MAR-TRE-3159af1a-99
0.310
SID-ELM-1f105489-1
0.306