Molecular Properties | |
SMILES: | CN1CCN(S(=O)(=O)c2cccc(NC(=O)Nc3cccnc3)c2)CC1 |
MW: | 375.14 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 94.64 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
AAR-POS-d2a4d1df-11
ALE-MCD-4ac17b19-1
0.557
SAD-SAT-135344c3-7
0.524
WAR-XCH-eb7b662f-6
0.486
MAK-UNK-009ebe36-7
0.472
WIL-UNI-5578df48-21
0.467
JAN-GHE-83b26c96-19
0.466
JOR-UNI-2fc98d0b-7
0.466
DAR-DIA-23aa0b97-14
0.466
WAR-XCH-eb7b662f-7
0.466
KEI-TRE-d5e2018a-22
0.453
DAR-DIA-842b4336-2
0.452
SAD-SAT-f25ee457-8
0.451
WIL-UNI-5578df48-19
0.444
SAD-SAT-135344c3-5
0.443
WIL-UNI-5578df48-22
0.443
JOR-UNI-61e7b1d5-2
0.442
DAR-DIA-23aa0b97-5
0.442
ANN-UNI-26382800-4
0.442
WAR-XCH-eb7b662f-1
0.442
MAK-UNK-009ebe36-3
0.432
AAR-POS-d2a4d1df-11
0.429
ALE-HEI-f28a35b5-16
0.427
SAD-SAT-135344c3-2
0.425
KEI-TRE-d5e2018a-13
0.418
KEI-TRE-d5e2018a-9
0.418
SAD-SAT-135344c3-4
0.416
KEI-TRE-d5e2018a-10
0.416
MAK-UNK-129dcd6f-9
0.414
MAR-TRE-799db12b-34
0.414
AHN-SAT-de2502ba-6
0.412
MAR-TRE-6a44bbf2-43
0.412
WIL-UNI-5578df48-26
0.412
WIL-UNI-5578df48-25
0.411
MAR-TRE-67513f76-51
0.411
IND-SYN-6c8299e8-9
0.410
MAR-TRE-d0525fbf-90
0.410
MAR-TRE-9c797165-52
0.410
SAD-SAT-689b7d5a-3
0.407
KEI-TRE-d5e2018a-61
0.407
DAR-DIA-842b4336-1
0.405
WIL-UNI-5578df48-23
0.404
KEI-TRE-d5e2018a-53
0.404
MAK-UNK-d1e89583-7
0.403
AHN-SAT-de2502ba-5
0.402
SAD-SAT-135344c3-9
0.402
WIL-UNI-5578df48-30
0.402
SAD-SAT-689b7d5a-8
0.400
WAR-XCH-eb7b662f-3
0.400
BAR-COM-21d20d65-2
0.400
WIL-UNI-5578df48-28
0.400
KAY-MCD-59dc2eb3-1
0.398
KEI-TRE-d5e2018a-73
0.398
BAR-COM-21d20d65-8
0.398
BAR-COM-21d20d65-4
0.398
MAK-UNK-129dcd6f-2
0.398
MAR-TRE-6a44bbf2-100
0.398
AHN-SAT-de2502ba-4
0.398
WIL-UNI-5578df48-27
0.396
SAD-SAT-cefd50cc-1
0.395
DAR-DIA-23aa0b97-15
0.395
BAR-COM-21d20d65-5
0.393
DAR-DIA-842b4336-7
0.392
MAR-TRE-3e4e6814-34
0.391
KEI-TRE-d5e2018a-32
0.391
WIL-UNI-5578df48-20
0.391
MAR-TRE-74c6519b-66
0.390
JOH-UNK-14e6adc5-2
0.390
ANN-UNI-26382800-3
0.390
MAK-UNK-30aad1f1-8
0.389
BAR-COM-21d20d65-6
0.389
MAK-UNK-de8f6d00-2
0.388
WAR-XCH-eb7b662f-5
0.388
SAD-SAT-2fd372d1-7
0.388
WIL-UNI-5578df48-29
0.387
MAK-UNK-d1e89583-4
0.385
MAR-TRE-2fd8122f-22
0.385
MAR-TRE-d0525fbf-45
0.382
WIL-UNI-5578df48-24
0.382
BAR-COM-21d20d65-9
0.382
ABB-MCD-f549d731-1
0.381
MAK-UNK-ae34c249-2
0.381
BAR-COM-21d20d65-1
0.380
BAR-COM-21d20d65-7
0.380
MAK-UNK-d1e89583-2
0.380
MAK-UNK-009ebe36-6
0.378
MAK-UNK-d1e89583-1
0.377
MAK-UNK-129dcd6f-12
0.375
DAR-DIA-842b4336-8
0.375
WAR-XCH-eb7b662f-4
0.375
CHR-SOS-363cfb78-1
0.375
MAR-TRE-2fd8122f-33
0.374
MAK-UNK-10dfa458-24
0.374
BAR-COM-21d20d65-3
0.374
IAN-BAS-df1706d7-1
0.372
DAR-DIA-842b4336-3
0.372
MAR-TRE-2fd8122f-13
0.371
MAR-TRE-7f7bb9f0-33
0.371
KEI-TRE-d5e2018a-52
0.370
SAD-SAT-f25ee457-7
0.370
SAD-SAT-135344c3-3
0.370