Molecular Properties | |
SMILES: | CNC(=O)C1CN(C)CCN1C(=O)Cc1c[nH]c2ncccc12 |
MW: | 315.377 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 81.33 |
cLogP: | -0.00599999999999817 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-20
NIC-BIO-ec630548-2
0.784
NIC-BIO-ec630548-4
0.773
NIC-BIO-29f4a211-1
0.684
NIC-BIO-ec630548-1
0.679
NIC-BIO-29f4a211-2
0.679
MAK-UNK-10572812-6
0.626
NIC-BIO-96ee2ca4-1
0.624
NIC-BIO-f814dd3d-1
0.609
SAD-SAT-f25ee457-10
0.591
GAB-FRA-261eb2a6-1
0.576
AAR-POS-d2a4d1df-20
0.564
NIC-BIO-96ee2ca4-2
0.564
NIC-BIO-25446079-4
0.543
NIC-BIO-25446079-2
0.537
MAR-TRE-3159af1a-37
0.517
IND-SYN-3aa4e743-1
0.506
IND-SYN-6c8299e8-5
0.506
MAR-TRE-3159af1a-66
0.489
SAD-SAT-f25ee457-5
0.488
MAR-TRE-3159af1a-2
0.484
SWA-SYN-d2e6fa14-9
0.484
SWA-SYN-6423ea73-10
0.484
MAR-TRE-3159af1a-40
0.483
NIC-BIO-25446079-3
0.482
MAR-TRE-3159af1a-90
0.467
MAR-TRE-3159af1a-70
0.458
SWA-SYN-6423ea73-4
0.447
SWA-SYN-d2e6fa14-4
0.447
NIC-BIO-25446079-1
0.430
ASH-UNK-40b46b30-18
0.424
MAK-UNK-b1917cc8-5
0.424
SAD-SAT-f25ee457-6
0.417
MAR-TRE-3159af1a-16
0.416
TAM-UNI-c140e31a-5
0.414
MAK-UNK-de8f6d00-2
0.413
MAK-UNK-10572812-7
0.412
ASH-UNK-40b46b30-14
0.410
MAR-TRE-3159af1a-9
0.407
DAR-DIA-23aa0b97-12
0.404
MAR-TRE-3159af1a-8
0.402
TAM-UNI-c140e31a-8
0.402
KAL-WAB-eb347ebe-1
0.400
MAR-TRE-3159af1a-84
0.396
MAK-UNK-de8f6d00-3
0.394
TAM-UNI-c140e31a-4
0.392
TRY-UNI-1fd04853-8
0.389
MAR-TRE-3159af1a-33
0.389
MAR-TRE-3159af1a-41
0.387
DAR-DIA-23aa0b97-1
0.387
MAR-TRE-3159af1a-76
0.387
TRY-UNI-1fd04853-7
0.386
MAK-UNK-10572812-9
0.385
TAM-UNI-c140e31a-18
0.385
ANT-DIA-3c79be55-1
0.385
TRY-UNI-1fd04853-5
0.385
TAM-UNI-c140e31a-17
0.385
ZAC-WAB-2baeb60f-1
0.384
ZAC-WAB-d55a3c2e-1
0.384
MAK-UNK-de8f6d00-7
0.383
MAK-UNK-de8f6d00-8
0.381
MAK-UNK-10572812-2
0.381
MAK-UNK-de8f6d00-1
0.377
MAK-UNK-10572812-10
0.377
MAK-UNK-10572812-11
0.375
MAR-UCB-195bc32d-13
0.373
TRY-UNI-1fd04853-6
0.372
RED-RED-10c9212c-49
0.372
MAK-UNK-10572812-13
0.372
SID-ELM-1f105489-9
0.371
TRY-UNI-1fd04853-11
0.370
MAK-UNK-de8f6d00-5
0.367
MAK-UNK-10572812-12
0.366
TRY-UNI-1fd04853-9
0.366
MAR-TRE-3159af1a-75
0.365
MAK-UNK-10572812-1
0.365
DAR-DIA-23aa0b97-2
0.365
MAK-UNK-de8f6d00-6
0.364
MAK-UNK-10572812-8
0.360
MAR-UCB-195bc32d-10
0.360
MAR-TRE-3159af1a-21
0.358
MAR-TRE-3159af1a-24
0.358
TRY-UNI-1fd04853-12
0.358
NIC-BIO-5044b423-1
0.355
MAR-TRE-3159af1a-1
0.352
MAR-TRE-3159af1a-99
0.352
TRY-UNI-1fd04853-10
0.351
ANT-DIA-3c79be55-3
0.350
NIC-BIO-174c9b04-1
0.348
MAR-TRE-3159af1a-44
0.346
PET-SGC-fc67af9f-1
0.345
NIC-BIO-174c9b04-2
0.337
NIC-BIO-3276ca7f-4
0.337
NIC-BIO-3276ca7f-1
0.337
NAU-LAT-81109c57-7
0.336
NIC-BIO-2722da07-1
0.333
MAR-TRE-3159af1a-19
0.333
DOU-UNK-b5326f8f-15
0.330
ZAC-WAB-86e8bacf-1
0.330
NIC-BIO-3276ca7f-6
0.330
JON-UNI-57097b3f-2
0.330