Molecular Properties | |
SMILES: | O=C(CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1)NCCc1c[nH]c2ccc(F)cc12 |
MW: | 462.529 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 97.12 |
cLogP: | 2.2289 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-10572812-9
0.755
MAK-UNK-10572812-7
0.640
MAK-UNK-10572812-6
0.583
MAK-UNK-10572812-2
0.580
MAK-UNK-be5ffcbc-1
0.579
MAK-UNK-10572812-1
0.561
MAK-UNK-be5ffcbc-7
0.561
MAK-UNK-10572812-16
0.558
MAK-UNK-10572812-10
0.548
MAK-UNK-10572812-13
0.544
MAK-UNK-10572812-12
0.540
MAK-UNK-10572812-17
0.540
MAK-UNK-10572812-14
0.539
MAK-UNK-10572812-15
0.509
MAK-UNK-10572812-3
0.504
NAU-LAT-81109c57-8
0.490
AAR-POS-d2a4d1df-20
0.490
MAK-UNK-10572812-11
0.483
IND-SYN-6c8299e8-5
0.474
IND-SYN-3aa4e743-1
0.474
MAK-UNK-be5ffcbc-8
0.474
NIC-BIO-25446079-2
0.455
SWA-SYN-6423ea73-4
0.454
SWA-SYN-d2e6fa14-4
0.454
NIC-BIO-25446079-4
0.446
SWA-SYN-d2e6fa14-9
0.444
SWA-SYN-6423ea73-10
0.444
AAR-POS-d2a4d1df-2
0.442
SAD-SAT-f25ee457-5
0.433
NAU-LAT-81109c57-7
0.426
NAU-LAT-81109c57-4
0.426
NAU-LAT-81109c57-1
0.426
MAK-UNK-de8f6d00-7
0.420
MAK-UNK-de8f6d00-8
0.419
MAR-TRE-3159af1a-90
0.417
MAR-TRE-3159af1a-70
0.412
MAK-UNK-37f1d6fa-2
0.412
NAU-LAT-81109c57-2
0.411
MAK-UNK-de8f6d00-3
0.407
MAR-TRE-3159af1a-40
0.404
MAR-TRE-3159af1a-37
0.404
MAK-UNK-de8f6d00-1
0.403
MAK-UNK-37f1d6fa-7
0.403
MAK-UNK-37f1d6fa-1
0.402
MAK-UNK-de8f6d00-2
0.400
MAK-UNK-37f1d6fa-6
0.397
MAK-UNK-be5ffcbc-3
0.396
MAK-UNK-de8f6d00-5
0.393
MAK-UNK-176ca439-5
0.392
MAK-UNK-72b7ba6b-1
0.392
MAK-UNK-de8f6d00-6
0.390
NIC-BIO-f814dd3d-1
0.388
NIC-BIO-ec630548-4
0.387
FRA-LAB-04e32718-1
0.387
MAK-UNK-37f1d6fa-4
0.385
NIC-BIO-29f4a211-2
0.382
NIC-BIO-ec630548-1
0.382
NIC-BIO-29f4a211-1
0.380
NIC-BIO-ec630548-2
0.378
SAD-SAT-f25ee457-10
0.376
TAM-UNI-c140e31a-5
0.376
MAK-UNK-37f1d6fa-3
0.375
MAR-TRE-3159af1a-2
0.373
MAR-TRE-3159af1a-66
0.372
TAM-UNI-c140e31a-8
0.367
MAR-TRE-3159af1a-21
0.364
ASH-UNK-40b46b30-14
0.363
ASH-UNK-40b46b30-18
0.361
NIC-BIO-25446079-3
0.361
NIC-BIO-ec630548-3
0.360
NIC-BIO-96ee2ca4-1
0.359
NIC-BIO-25446079-1
0.358
MAR-TRE-3159af1a-1
0.358
TRY-UNI-1fd04853-9
0.358
SAN-PRS-3c4a6997-4
0.356
MAR-TRE-7f7bb9f0-83
0.356
MAR-TRE-3159af1a-16
0.355
NIC-BIO-96ee2ca4-2
0.355
MAR-TRE-3159af1a-33
0.352
MAK-UNK-10572812-4
0.351
ABI-SAT-30e287c1-2
0.350
GAB-FRA-261eb2a6-1
0.350
TRY-UNI-1fd04853-5
0.349
MAR-TRE-fd17a9b8-41
0.347
TAM-UNI-c140e31a-4
0.347
MAR-TRE-3159af1a-44
0.341
TAM-UNI-c140e31a-18
0.341
MAR-TRE-3159af1a-24
0.341
TAM-UNI-c140e31a-17
0.341
SHR-UNK-cde60afe-1
0.341
MAK-UNK-10dfa458-15
0.341
MAR-TRE-3159af1a-9
0.340
TRY-UNI-1fd04853-8
0.339
MAR-TRE-3159af1a-41
0.339
TRY-UNI-1fd04853-7
0.336
MAR-TRE-3159af1a-8
0.336
TRY-UNI-1fd04853-11
0.336
MAR-TRE-3159af1a-84
0.336
TAM-UNI-c140e31a-9
0.336
KAL-WAB-eb347ebe-1
0.333