Molecular Properties | |
SMILES: | CC(C)(C)c1cc(N)cc(NC(=O)Nc2cccnc2)c1 |
MW: | 284.16 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 80.04 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_487____826622____150243 |
aniline
aniline
analine
ALE-HEI-f28a35b5-9
WIL-UNI-5578df48-21
0.581
WAR-XCH-eb7b662f-3
0.525
WIL-UNI-5578df48-22
0.522
WIL-UNI-5578df48-19
0.522
WAR-XCH-eb7b662f-6
0.508
SAD-SAT-689b7d5a-8
0.507
WAR-XCH-eb7b662f-5
0.500
AAR-POS-d2a4d1df-11
0.492
WAR-XCH-eb7b662f-4
0.485
WIL-UNI-5578df48-31
0.475
DAR-DIA-23aa0b97-15
0.469
DAR-DIA-842b4336-2
0.469
WAR-XCH-eb7b662f-7
0.462
JOR-UNI-2fc98d0b-7
0.462
DAR-DIA-23aa0b97-14
0.462
JAN-GHE-83b26c96-19
0.462
DAR-DIA-842b4336-1
0.460
WAR-XCH-eb7b662f-2
0.457
MAK-UNK-d1e89583-4
0.455
MAK-UNK-d1e89583-7
0.455
ALE-HEI-f28a35b5-4
0.448
CHR-SOS-363cfb78-1
0.441
ANN-UNI-26382800-3
0.439
DAR-DIA-842b4336-3
0.439
JOH-UNK-14e6adc5-2
0.439
DAR-DIA-23aa0b97-5
0.435
ANN-UNI-26382800-4
0.435
WAR-XCH-eb7b662f-1
0.435
JOR-UNI-61e7b1d5-2
0.435
MAK-UNK-129dcd6f-12
0.434
IAN-BAS-df1706d7-1
0.432
WIL-UNI-5578df48-32
0.429
MAK-UNK-d1e89583-2
0.426
MAK-UNK-129dcd6f-9
0.423
ALE-HEI-f28a35b5-15
0.422
DAR-DIA-842b4336-7
0.420
DAR-DIA-842b4336-8
0.420
DAR-DIA-842b4336-4
0.418
SAD-SAT-689b7d5a-5
0.416
BAR-COM-21d20d65-6
0.412
WIL-UNI-5578df48-15
0.411
WIL-UNI-5578df48-29
0.410
DAR-DIA-842b4336-9
0.408
WIL-UNI-5578df48-28
0.408
SAD-SAT-f25ee457-8
0.408
MAK-UNK-009ebe36-2
0.407
BAR-COM-21d20d65-8
0.405
MAK-UNK-d1e89583-1
0.403
WIL-UNI-5578df48-25
0.402
WIL-UNI-5578df48-27
0.402
MAK-UNK-ca11b4f7-3
0.400
WIL-UNI-5578df48-14
0.400
DAR-DIA-842b4336-5
0.400
BAR-COM-21d20d65-5
0.400
JOH-IMS-62aeb97d-5
0.393
JOR-UNI-61e7b1d5-1
0.392
ALE-HEI-f28a35b5-8
0.391
SAD-SAT-f25ee457-7
0.390
BAR-COM-5694a99d-3
0.388
MAK-UNK-129dcd6f-2
0.388
STE-LAU-aafa5dff-1
0.388
ALE-MCD-4ac17b19-1
0.388
BAR-COM-21d20d65-9
0.388
WIL-UNI-5578df48-26
0.385
MAK-UNK-129dcd6f-3
0.385
SAD-SAT-689b7d5a-1
0.384
DAR-DIA-842b4336-6
0.384
SAD-SAT-cefd50cc-1
0.384
MAR-TRE-67513f76-81
0.383
FRA-FAC-9ed5a63a-3
0.380
WIL-UNI-5578df48-20
0.380
WIL-UNI-5578df48-17
0.380
WIL-UNI-5578df48-23
0.378
MAK-UNK-ca11b4f7-2
0.377
WIL-UNI-5578df48-18
0.375
BAR-COM-5694a99d-4
0.375
BAR-COM-21d20d65-2
0.373
TAM-UNI-c140e31a-19
0.373
SAN-PRS-52b81272-3
0.373
MAK-UNK-ca11b4f7-1
0.371
WIL-UNI-5578df48-24
0.370
BAR-COM-21d20d65-4
0.370
MAK-UNK-10dfa458-31
0.370
SAD-SAT-135344c3-10
0.370
WAR-XCH-6eb0722e-5
0.369
BAR-COM-21d20d65-1
0.369
JIA-UNI-12b1f9ae-1
0.368
MAK-UNK-d1e89583-8
0.368
SAD-SAT-689b7d5a-7
0.368
MAK-UNK-c749d764-17
0.366
MAR-TRE-2fd8122f-67
0.366
MAR-TRE-67513f76-93
0.365
SAD-SAT-689b7d5a-9
0.365
SAD-SAT-135344c3-7
0.365
WAR-XCH-6eb0722e-4
0.365
HUB-UNK-9845d277-4
0.363
MAK-UNK-30aad1f1-12
0.362
MAK-UNK-10dfa458-16
0.362
WIL-UNI-5578df48-16
0.361
MAK-UNK-10dfa458-24
0.361