Molecular Properties | |
SMILES: | COC(C)(C)c1cccc(NC(=O)Nc2cccnc2)c1 |
MW: | 285.15 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-21
0.750
WIL-UNI-5578df48-19
0.667
WAR-XCH-eb7b662f-6
0.610
JAN-GHE-83b26c96-19
0.557
DAR-DIA-23aa0b97-14
0.557
JOR-UNI-2fc98d0b-7
0.557
WAR-XCH-eb7b662f-7
0.557
ANN-UNI-26382800-4
0.523
WAR-XCH-eb7b662f-1
0.523
JOR-UNI-61e7b1d5-2
0.523
DAR-DIA-23aa0b97-5
0.523
SAD-SAT-689b7d5a-3
0.522
SAD-SAT-689b7d5a-8
0.507
AAR-POS-d2a4d1df-11
0.492
BAR-COM-21d20d65-6
0.487
MAK-UNK-129dcd6f-9
0.480
WAR-XCH-eb7b662f-3
0.476
WIL-UNI-5578df48-20
0.473
DAR-DIA-842b4336-2
0.469
DAR-DIA-23aa0b97-15
0.469
WIL-UNI-5578df48-28
0.466
BAR-COM-21d20d65-8
0.461
MAK-UNK-129dcd6f-2
0.461
DAR-DIA-842b4336-1
0.460
WIL-UNI-5578df48-26
0.459
WAR-XCH-eb7b662f-5
0.456
BAR-COM-21d20d65-7
0.456
BAR-COM-21d20d65-5
0.455
MAK-UNK-d1e89583-7
0.455
MAK-UNK-d1e89583-4
0.455
WIL-UNI-5578df48-23
0.449
MAK-UNK-10dfa458-24
0.449
WIL-UNI-5578df48-32
0.446
BAR-COM-21d20d65-2
0.443
MAK-UNK-009ebe36-2
0.443
BAR-COM-21d20d65-9
0.442
WIL-UNI-5578df48-24
0.442
BAR-COM-21d20d65-4
0.442
CHR-SOS-363cfb78-1
0.441
WAR-XCH-eb7b662f-4
0.441
DAR-DIA-842b4336-7
0.441
DAR-DIA-842b4336-3
0.439
ANN-UNI-26382800-3
0.439
DAR-DIA-842b4336-4
0.439
JOH-UNK-14e6adc5-2
0.439
WIL-UNI-5578df48-25
0.438
BAR-COM-21d20d65-1
0.438
SAD-SAT-135344c3-7
0.432
BAR-COM-21d20d65-3
0.430
MAK-UNK-30aad1f1-8
0.430
WIL-UNI-5578df48-30
0.427
WIL-UNI-5578df48-29
0.427
SAD-SAT-f25ee457-8
0.427
ALE-HEI-f28a35b5-4
0.426
MAK-UNK-d1e89583-1
0.424
SAD-SAT-cefd50cc-1
0.423
WIL-UNI-5578df48-31
0.422
DAR-DIA-842b4336-8
0.420
WIL-UNI-5578df48-27
0.420
WAR-XCH-eb7b662f-2
0.417
MAK-UNK-30aad1f1-6
0.417
MAK-UNK-129dcd6f-12
0.416
SAD-SAT-689b7d5a-5
0.416
DAR-DIA-842b4336-9
0.408
MAK-UNK-d1e89583-2
0.406
BAR-COM-5694a99d-3
0.405
DAR-DIA-842b4336-6
0.403
MAK-UNK-129dcd6f-3
0.403
ALE-HEI-f28a35b5-15
0.400
DAR-DIA-842b4336-5
0.400
MAK-UNK-ca11b4f7-3
0.400
IAN-BAS-df1706d7-1
0.395
JOH-IMS-62aeb97d-5
0.393
MAK-UNK-129dcd6f-5
0.392
JOR-UNI-61e7b1d5-1
0.392
WIL-UNI-5578df48-15
0.392
TAM-UNI-c140e31a-19
0.392
ALE-HEI-f28a35b5-8
0.391
MAK-UNK-10dfa458-31
0.388
CAS-DEP-167c18e3-4
0.387
MAR-TRE-67513f76-81
0.383
WIL-UNI-5578df48-14
0.382
HUB-UNK-9845d277-16
0.380
WIL-UNI-5578df48-17
0.380
WIL-UNI-5578df48-39
0.379
MAK-UNK-de8f6d00-2
0.379
HUB-UNK-9845d277-4
0.378
MAK-UNK-ca11b4f7-2
0.377
MAR-TRE-2fd8122f-97
0.377
WIL-UNI-5578df48-38
0.376
FAR-UNI-736b943a-6
0.375
SAD-SAT-f25ee457-7
0.373
BEN-BAS-e0d85f98-1
0.372
MAK-UNK-ae34c249-2
0.371
MAK-UNK-ca11b4f7-1
0.371
ALE-MCD-4ac17b19-1
0.370
BAR-COM-5694a99d-2
0.370
WAR-XCH-6eb0722e-5
0.369
JIA-UNI-12b1f9ae-1
0.368
SAD-SAT-689b7d5a-7
0.368