Molecular Properties | |
SMILES: | NC1NCC(c2cccc(NC(=O)Nc3cccnc3)c2)O1 |
MW: | 299.14 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 3 |
TPSA: | 101.3 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-20
0.519
DAR-DIA-23aa0b97-14
0.472
WAR-XCH-eb7b662f-7
0.472
JOR-UNI-2fc98d0b-7
0.472
JAN-GHE-83b26c96-19
0.472
WAR-XCH-eb7b662f-6
0.472
BAR-COM-21d20d65-2
0.471
WIL-UNI-5578df48-21
0.453
WIL-UNI-5578df48-22
0.449
ANN-UNI-26382800-4
0.447
DAR-DIA-23aa0b97-5
0.447
WAR-XCH-eb7b662f-1
0.447
JOR-UNI-61e7b1d5-2
0.447
DAR-DIA-23aa0b97-15
0.438
WIL-UNI-5578df48-29
0.422
WIL-UNI-5578df48-28
0.422
DAR-DIA-842b4336-2
0.419
BAR-COM-21d20d65-8
0.419
WIL-UNI-5578df48-26
0.417
WIL-UNI-5578df48-27
0.416
WIL-UNI-5578df48-19
0.415
AAR-POS-d2a4d1df-11
0.414
MAK-UNK-d1e89583-7
0.408
WAR-XCH-eb7b662f-3
0.405
SAD-SAT-f25ee457-8
0.405
MAK-UNK-009ebe36-2
0.404
BAR-COM-21d20d65-9
0.402
MAK-UNK-129dcd6f-9
0.402
BAR-COM-21d20d65-4
0.402
WIL-UNI-5578df48-25
0.400
DAR-DIA-842b4336-6
0.400
BAR-COM-21d20d65-1
0.400
BAR-COM-21d20d65-5
0.398
WIL-UNI-5578df48-14
0.398
DAR-DIA-842b4336-8
0.397
CHR-SOS-363cfb78-1
0.397
DAR-DIA-842b4336-7
0.397
SAD-SAT-135344c3-7
0.396
JOH-UNK-14e6adc5-2
0.395
ANN-UNI-26382800-3
0.395
BAR-COM-21d20d65-3
0.393
DAR-DIA-842b4336-1
0.392
WIL-UNI-5578df48-30
0.391
MAK-UNK-129dcd6f-2
0.386
WIL-UNI-5578df48-24
0.386
BAR-COM-21d20d65-7
0.385
MAK-UNK-30aad1f1-6
0.383
SAD-SAT-cefd50cc-1
0.383
WAR-XCH-eb7b662f-4
0.380
WIL-UNI-5578df48-17
0.379
WIL-UNI-5578df48-32
0.379
SAD-SAT-689b7d5a-3
0.378
BAR-COM-21d20d65-6
0.378
MAK-UNK-10dfa458-24
0.378
MAK-UNK-30aad1f1-8
0.378
WAR-XCH-eb7b662f-5
0.375
WIL-UNI-5578df48-15
0.373
MAK-UNK-d1e89583-4
0.372
DAR-DIA-842b4336-9
0.370
ALE-HEI-f28a35b5-4
0.367
MAK-UNK-129dcd6f-12
0.364
MAK-UNK-d1e89583-1
0.364
FRA-FAC-9ed5a63a-3
0.362
FRA-FAC-9ed5a63a-4
0.361
WAR-XCH-eb7b662f-2
0.361
IAN-BAS-df1706d7-1
0.360
WIL-UNI-5578df48-18
0.360
DAR-DIA-842b4336-3
0.359
DAR-DIA-842b4336-4
0.359
MAK-UNK-d1e89583-9
0.357
SAD-SAT-689b7d5a-8
0.356
MAK-UNK-30aad1f1-7
0.355
ALE-HEI-f28a35b5-8
0.354
MAK-UNK-129dcd6f-3
0.352
BAR-COM-5694a99d-1
0.352
MAK-UNK-d1e89583-2
0.350
SAD-SAT-689b7d5a-9
0.349
DAR-DIA-842b4336-5
0.346
TRY-UNI-bbd40bb4-4
0.344
BAR-COM-5694a99d-4
0.344
AHN-SAT-d468bb5b-1
0.343
ALE-HEI-f28a35b5-15
0.342
JOH-IMS-62aeb97d-4
0.342
ALE-HEI-f28a35b5-16
0.342
TAM-UNI-c140e31a-19
0.341
MAK-UNK-10dfa458-31
0.341
ALE-MCD-4ac17b19-1
0.341
TRY-UNI-bbd40bb4-3
0.340
SAD-SAT-689b7d5a-7
0.340
MAK-UNK-de8f6d00-2
0.340
JIA-UNI-12b1f9ae-1
0.337
CAS-DEP-167c18e3-4
0.337
BAR-COM-5694a99d-5
0.337
JOH-IMS-62aeb97d-3
0.333
MAR-TRE-f6f5f473-78
0.333
HUB-UNK-9845d277-3
0.333
MAK-UNK-30aad1f1-12
0.333
MAR-TRE-2fd8122f-81
0.333
MAK-UNK-10dfa458-16
0.333
MAK-UNK-ae34c249-2
0.333