Molecular Properties | |
SMILES: | O=C(Nc1ccc(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)cc1)Nc1cccnc1 |
MW: | 455.522 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 106.25 |
cLogP: | 3.4932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
MAK-UNK-de8f6d00-2
0.756
MAK-UNK-de8f6d00-7
0.674
MAK-UNK-de8f6d00-5
0.667
MAK-UNK-de8f6d00-8
0.660
MAK-UNK-de8f6d00-6
0.578
MAK-UNK-de8f6d00-1
0.570
AAR-POS-d2a4d1df-20
0.547
KAL-WAB-eb347ebe-1
0.512
IND-SYN-3aa4e743-1
0.511
IND-SYN-6c8299e8-5
0.511
NIC-BIO-25446079-2
0.506
NIC-BIO-25446079-4
0.495
MAR-TRE-3159af1a-90
0.490
MAR-TRE-3159af1a-40
0.474
MAK-UNK-10572812-10
0.474
SWA-SYN-6423ea73-4
0.470
SWA-SYN-d2e6fa14-4
0.470
SAD-SAT-f25ee457-5
0.463
MAK-UNK-10572812-12
0.451
MAK-UNK-10572812-11
0.447
SWA-SYN-6423ea73-10
0.446
SWA-SYN-d2e6fa14-9
0.446
TAM-UNI-c140e31a-19
0.444
MAK-UNK-10572812-13
0.443
MAK-UNK-10572812-9
0.434
MAR-TRE-7f7bb9f0-58
0.422
NIC-BIO-29f4a211-1
0.418
MAR-TRE-3159af1a-37
0.416
TAM-UNI-c140e31a-5
0.411
ALE-MCD-4ac17b19-1
0.408
MAK-UNK-10572812-8
0.407
MAK-UNK-10572812-2
0.403
NIC-BIO-ec630548-2
0.402
TAM-UNI-c140e31a-8
0.400
MAR-TRE-3159af1a-70
0.398
SAD-SAT-f25ee457-10
0.398
NIC-BIO-ec630548-3
0.394
MAR-TRE-3159af1a-66
0.394
NIC-BIO-29f4a211-2
0.392
NIC-BIO-ec630548-1
0.392
MAK-UNK-10572812-1
0.388
SAD-SAT-135344c3-7
0.388
MAR-TRE-3159af1a-16
0.387
AAR-POS-d2a4d1df-11
0.386
NIC-BIO-ec630548-4
0.385
NIC-BIO-25446079-3
0.384
WIL-UNI-5578df48-15
0.383
MAR-TRE-3159af1a-2
0.382
NIC-BIO-25446079-1
0.381
SAD-SAT-135344c3-8
0.381
DAR-DIA-23aa0b97-2
0.379
TAM-UNI-c140e31a-4
0.378
DAR-DIA-23aa0b97-12
0.374
MAK-UNK-10dfa458-16
0.374
NIC-BIO-f814dd3d-1
0.373
TAM-UNI-c140e31a-17
0.372
TAM-UNI-c140e31a-18
0.372
ANN-UNI-26382800-3
0.371
JOH-UNK-14e6adc5-2
0.371
ASH-UNK-40b46b30-14
0.371
ASH-UNK-40b46b30-18
0.369
NIC-BIO-96ee2ca4-1
0.367
MAK-UNK-10572812-7
0.365
MAR-TRE-3159af1a-9
0.361
MAK-UNK-b1917cc8-5
0.361
WIL-UNI-5578df48-14
0.361
MAR-TRE-3159af1a-33
0.360
WIL-UNI-5578df48-17
0.360
DAR-DIA-23aa0b97-1
0.359
SID-ELM-1f105489-1
0.357
MAR-TRE-3159af1a-8
0.357
TRY-UNI-1fd04853-7
0.357
WIL-UNI-5578df48-18
0.356
MAK-UNK-37f1d6fa-7
0.353
SAD-SAT-f25ee457-6
0.353
MAK-UNK-129dcd6f-3
0.350
BAR-COM-5694a99d-1
0.350
MAK-UNK-30aad1f1-12
0.347
TRY-UNI-1fd04853-8
0.347
MAR-TRE-3159af1a-41
0.346
MAR-TRE-d0525fbf-84
0.345
GAB-FRA-261eb2a6-1
0.345
DAR-DIA-842b4336-2
0.344
MAK-UNK-d1e89583-1
0.344
ANT-DIA-3c79be55-1
0.343
TRY-UNI-1fd04853-11
0.343
TRY-UNI-1fd04853-9
0.340
MAK-UNK-30aad1f1-7
0.340
NIC-BIO-96ee2ca4-2
0.339
MAR-TRE-3159af1a-76
0.333
TRY-UNI-1fd04853-12
0.333
WIL-UNI-5578df48-16
0.333
RED-RED-10c9212c-49
0.333
MAR-TRE-3159af1a-84
0.330
MAK-UNK-009ebe36-8
0.330
MAK-UNK-009ebe36-2
0.330
TRY-UNI-1fd04853-5
0.330
MAR-UCB-195bc32d-13
0.330
DAR-DIA-23aa0b97-15
0.330
ANT-DIA-3c79be55-3
0.327