Molecular Properties | |
SMILES: | N#Cc1ccc(NC(=O)Nc2cccnc2)o1 |
MW: | 228.211 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 90.95 |
cLogP: | 2.19028 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
ANN-UNI-26382800-3
0.576
JOH-UNK-14e6adc5-2
0.576
CHR-SOS-363cfb78-1
0.548
DAR-DIA-23aa0b97-5
0.540
ANN-UNI-26382800-4
0.540
WAR-XCH-eb7b662f-1
0.540
JOR-UNI-61e7b1d5-2
0.540
AAR-POS-d2a4d1df-11
0.536
WAR-XCH-eb7b662f-2
0.515
DAR-DIA-842b4336-5
0.500
DAR-DIA-842b4336-6
0.500
DAR-DIA-842b4336-1
0.475
WAR-XCH-eb7b662f-3
0.468
MAK-UNK-30aad1f1-12
0.466
DAR-DIA-842b4336-15
0.464
DAR-DIA-23aa0b97-15
0.460
DAR-DIA-842b4336-2
0.460
WAR-XCH-eb7b662f-4
0.455
WAR-XCH-eb7b662f-7
0.453
WAR-XCH-eb7b662f-6
0.453
DAR-DIA-23aa0b97-14
0.453
JAN-GHE-83b26c96-19
0.453
JOR-UNI-2fc98d0b-7
0.453
WIL-UNI-5578df48-19
0.451
MAK-UNK-d1e89583-7
0.446
WIL-UNI-5578df48-15
0.443
MAK-UNK-30aad1f1-8
0.442
JOR-UNI-61e7b1d5-1
0.440
CHR-SOS-363cfb78-3
0.436
MAK-UNK-10dfa458-31
0.434
DAR-DIA-842b4336-7
0.433
DAR-DIA-842b4336-8
0.433
WIL-UNI-5578df48-21
0.433
DAR-DIA-842b4336-4
0.431
DAR-DIA-842b4336-3
0.431
MAK-UNK-30aad1f1-7
0.430
MAK-UNK-30aad1f1-14
0.429
WAR-XCH-eb7b662f-5
0.426
MAK-UNK-d1e89583-4
0.424
MAK-UNK-10dfa458-24
0.423
MAR-TRE-67513f76-81
0.421
MAK-UNK-d1e89583-2
0.418
ALE-HEI-f28a35b5-4
0.418
MAK-UNK-d1e89583-1
0.415
DAR-DIA-842b4336-14
0.414
ALE-HEI-f28a35b5-15
0.413
BAR-COM-21d20d65-7
0.412
MAK-UNK-30aad1f1-1
0.410
MAK-UNK-30aad1f1-6
0.410
WIL-UNI-5578df48-22
0.408
SAD-SAT-689b7d5a-3
0.408
IAN-BAS-df1706d7-1
0.405
WAR-XCH-6eb0722e-1
0.402
WIL-UNI-5578df48-28
0.400
WIL-UNI-5578df48-31
0.398
BAR-COM-21d20d65-4
0.397
MAR-TRE-2fd8122f-69
0.397
WIL-UNI-5578df48-26
0.395
SAD-SAT-cefd50cc-1
0.394
WIL-UNI-5578df48-14
0.392
WIL-UNI-5578df48-2
0.391
MAK-UNK-ca11b4f7-2
0.390
MAK-UNK-ca11b4f7-3
0.390
WIL-UNI-5578df48-20
0.390
HUB-UNK-9845d277-3
0.390
WIL-UNI-5578df48-32
0.388
NAU-LAT-445f63e5-6
0.385
WAR-XCH-6eb0722e-3
0.384
MAK-UNK-d1e89583-9
0.384
TAM-UNI-c140e31a-19
0.384
DAR-DIA-23aa0b97-17
0.384
ANN-UNI-26382800-5
0.384
MAK-UNK-ca11b4f7-1
0.383
JOH-IMS-62aeb97d-5
0.383
ALE-HEI-f28a35b5-8
0.382
SAD-SAT-f25ee457-8
0.382
WIL-UNI-5578df48-24
0.380
BAR-COM-21d20d65-9
0.380
MAK-UNK-129dcd6f-2
0.380
SAD-SAT-689b7d5a-4
0.378
JIA-UNI-12b1f9ae-1
0.378
BAR-COM-21d20d65-1
0.378
MAK-UNK-129dcd6f-3
0.377
SAD-SAT-689b7d5a-9
0.375
MAK-UNK-10dfa458-16
0.372
WIL-UNI-5578df48-17
0.372
MAK-UNK-129dcd6f-12
0.372
FRA-FAC-9ed5a63a-3
0.371
MED-UNK-e6e8ef8a-7
0.371
WIL-UNI-5578df48-16
0.370
HUB-UNK-9845d277-14
0.370
WIL-UNI-5578df48-23
0.370
FRA-FAC-9ed5a63a-4
0.370
ANT-DIA-3c79be55-5
0.368
SWA-SYN-59528602-3
0.368
AUS-ARG-7cfdce8f-11
0.368
WIL-UNI-5578df48-18
0.367
BAR-COM-5694a99d-4
0.367
MAR-TRE-9c797165-46
0.366
MAK-UNK-009ebe36-8
0.366