Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c[nH]c3ncccc23)[C@H](CCCNS(C)(=O)=O)C1 |
MW: | 393.18 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 98.4 |
cLogP: | 0.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
NIC-BIO-ec630548-1
0.711
NIC-BIO-29f4a211-2
0.690
NIC-BIO-96ee2ca4-1
0.637
NIC-BIO-f814dd3d-1
0.624
NIC-BIO-ec630548-4
0.600
NIC-BIO-29f4a211-1
0.598
NIC-BIO-ec630548-2
0.589
NIC-BIO-96ee2ca4-2
0.580
NIC-BIO-ec630548-3
0.576
SAD-SAT-f25ee457-10
0.525
AAR-POS-d2a4d1df-20
0.494
MAR-TRE-3159af1a-66
0.480
IND-SYN-3aa4e743-1
0.462
IND-SYN-6c8299e8-5
0.462
MAR-TRE-3159af1a-37
0.459
MAK-UNK-10572812-6
0.458
NIC-BIO-25446079-2
0.457
ZAC-WAB-d55a3c2e-1
0.451
ZAC-WAB-2baeb60f-1
0.451
MAR-TRE-3159af1a-2
0.448
NIC-BIO-25446079-4
0.447
ASH-UNK-40b46b30-18
0.434
SAD-SAT-f25ee457-5
0.433
MAR-TRE-3159af1a-40
0.430
NIC-BIO-25446079-3
0.427
SWA-SYN-d2e6fa14-9
0.417
SWA-SYN-6423ea73-10
0.417
MAR-TRE-3159af1a-90
0.416
TAM-UNI-c140e31a-5
0.411
SAD-SAT-f25ee457-6
0.402
SWA-SYN-6423ea73-4
0.400
SWA-SYN-d2e6fa14-4
0.400
MAR-TRE-3159af1a-70
0.398
ASH-UNK-40b46b30-14
0.395
ZAC-WAB-86e8bacf-1
0.394
TAM-UNI-c140e31a-8
0.387
NIC-BIO-25446079-1
0.381
TAM-UNI-c140e31a-4
0.378
MAR-TRE-3159af1a-16
0.375
MAK-UNK-b1917cc8-5
0.375
TAM-UNI-c140e31a-17
0.372
TAM-UNI-c140e31a-18
0.372
SHR-UNK-cde60afe-1
0.371
KAL-WAB-eb347ebe-1
0.368
MAK-UNK-10572812-10
0.366
MAK-UNK-10572812-7
0.365
MAK-UNK-10572812-11
0.364
MAK-UNK-10572812-9
0.361
MAR-TRE-3159af1a-9
0.361
MAK-UNK-10572812-13
0.361
MAR-TRE-3159af1a-33
0.360
DAR-DIA-23aa0b97-12
0.360
MAR-TRE-3159af1a-8
0.357
ANT-DIA-3c79be55-1
0.356
MAK-UNK-10572812-12
0.355
DAR-DIA-23aa0b97-2
0.352
MAK-UNK-de8f6d00-2
0.350
MAK-UNK-10572812-8
0.350
PET-SGC-fc67af9f-1
0.347
MAK-UNK-10572812-2
0.347
TRY-UNI-1fd04853-8
0.347
MAK-UNK-de8f6d00-3
0.345
MAK-UNK-de8f6d00-8
0.345
MAR-UCB-195bc32d-13
0.344
TRY-UNI-1fd04853-7
0.343
TRY-UNI-1fd04853-5
0.343
MAR-TRE-3159af1a-84
0.343
MAK-UNK-de8f6d00-1
0.342
MAK-UNK-de8f6d00-7
0.336
MAK-UNK-10572812-1
0.333
MAR-TRE-3159af1a-41
0.333
MAK-UNK-de8f6d00-5
0.333
MAR-TRE-3159af1a-76
0.333
TRY-UNI-1fd04853-12
0.333
RED-RED-10c9212c-49
0.333
DAR-DIA-23aa0b97-1
0.333
MAK-UNK-de8f6d00-6
0.331
TRY-UNI-1fd04853-11
0.330
SID-ELM-1f105489-9
0.330
ANT-DIA-3c79be55-3
0.327
TRY-UNI-1fd04853-9
0.327
TRY-UNI-1fd04853-6
0.321
TAM-UNI-c140e31a-9
0.320
MAR-TRE-3159af1a-75
0.319
NAU-LAT-81109c57-7
0.316
NIC-BIO-3276ca7f-1
0.315
TRY-UNI-1fd04853-10
0.315
MAR-TRE-3159af1a-24
0.314
MAR-TRE-3159af1a-44
0.314
MAR-TRE-3159af1a-1
0.308
MAR-TRE-3159af1a-99
0.308
JON-FRA-b98848c1-1
0.307
SID-UNK-90efdc9b-1
0.307
NIC-BIO-5044b423-1
0.305
SID-ELM-1f105489-1
0.304
MAR-TRE-3159af1a-35
0.304
NIC-BIO-3276ca7f-4
0.303
MAR-TRE-3159af1a-21
0.303
MAR-TRE-3159af1a-93
0.302
NIC-BIO-174c9b04-2
0.301