Molecular Properties | |
SMILES: | CC1CC=C(Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1 |
MW: | 321.18 |
Fraction sp3: | 0.3 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 54.02 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-26
0.571
BAR-COM-21d20d65-2
0.512
BAR-COM-21d20d65-5
0.506
WIL-UNI-5578df48-28
0.500
WIL-UNI-5578df48-30
0.494
BAR-COM-21d20d65-8
0.494
BAR-COM-21d20d65-4
0.494
SAD-SAT-135344c3-7
0.483
BAR-COM-21d20d65-6
0.482
WAR-XCH-eb7b662f-6
0.479
BAR-COM-21d20d65-9
0.476
WIL-UNI-5578df48-24
0.476
BAR-COM-21d20d65-1
0.471
BAR-COM-21d20d65-7
0.471
WIL-UNI-5578df48-27
0.471
BAR-COM-21d20d65-3
0.465
WIL-UNI-5578df48-29
0.461
WIL-UNI-5578df48-21
0.461
JAN-GHE-83b26c96-19
0.459
DAR-DIA-23aa0b97-14
0.459
JOR-UNI-2fc98d0b-7
0.459
WAR-XCH-eb7b662f-7
0.459
WAR-XCH-eb7b662f-1
0.455
DAR-DIA-23aa0b97-5
0.455
ANN-UNI-26382800-4
0.455
JOR-UNI-61e7b1d5-2
0.455
WIL-UNI-5578df48-22
0.438
MAK-UNK-30aad1f1-6
0.435
WIL-UNI-5578df48-19
0.422
MAK-UNK-009ebe36-2
0.411
MAK-UNK-129dcd6f-2
0.409
DAR-DIA-842b4336-2
0.408
AAR-POS-d2a4d1df-11
0.403
SAD-SAT-689b7d5a-3
0.402
WIL-UNI-5578df48-20
0.402
WAR-XCH-eb7b662f-5
0.400
WIL-UNI-5578df48-23
0.400
ALE-HEI-f28a35b5-8
0.397
WAR-XCH-eb7b662f-3
0.395
MAK-UNK-129dcd6f-9
0.393
SAD-SAT-cefd50cc-1
0.390
DAR-DIA-23aa0b97-15
0.390
WIL-UNI-5578df48-17
0.386
MAK-UNK-10dfa458-24
0.385
JOR-UNI-61e7b1d5-1
0.382
DAR-DIA-842b4336-1
0.382
MAK-UNK-d1e89583-7
0.380
MAK-UNK-d1e89583-4
0.380
SAD-SAT-689b7d5a-8
0.379
SAD-SAT-f25ee457-8
0.379
MAK-UNK-d1e89583-2
0.375
SAD-SAT-689b7d5a-7
0.375
DAR-DIA-842b4336-6
0.373
MAK-UNK-d1e89583-1
0.372
WAR-XCH-eb7b662f-4
0.370
DAR-DIA-842b4336-7
0.370
CHR-SOS-363cfb78-1
0.370
FRA-FAC-9ed5a63a-3
0.370
MAK-UNK-30aad1f1-8
0.370
IAN-BAS-df1706d7-1
0.368
ANN-UNI-26382800-3
0.367
JOH-UNK-14e6adc5-2
0.367
DAR-DIA-842b4336-3
0.367
MED-UNK-e6e8ef8a-3
0.366
WIL-UNI-5578df48-15
0.365
WIL-UNI-5578df48-31
0.365
MAK-UNK-129dcd6f-3
0.360
MAK-UNK-de8f6d00-2
0.358
ALE-HEI-f28a35b5-4
0.358
SAD-SAT-689b7d5a-9
0.357
WIL-UNI-5578df48-32
0.357
WIL-UNI-5578df48-14
0.356
WIL-UNI-5578df48-16
0.355
MAR-TRE-2fd8122f-27
0.354
DAR-DIA-842b4336-8
0.354
WAR-XCH-eb7b662f-2
0.353
FRA-FAC-9ed5a63a-4
0.353
MAR-TRE-67513f76-81
0.352
WIL-UNI-5578df48-18
0.352
SAD-SAT-f25ee457-7
0.351
CAS-DEP-e179b1f5-1
0.351
ALE-HEI-f28a35b5-15
0.351
DAR-DIA-842b4336-4
0.350
ALE-MCD-4ac17b19-1
0.348
SAD-SAT-135344c3-5
0.347
DAR-DIA-842b4336-9
0.345
JIA-UNI-12b1f9ae-1
0.345
BAR-COM-5694a99d-1
0.344
JOH-IMS-62aeb97d-5
0.342
MAK-UNK-c749d764-17
0.341
MED-UNK-e6e8ef8a-4
0.341
MAR-TRE-9c797165-80
0.341
MAK-UNK-c749d764-13
0.341
MAK-UNK-10dfa458-16
0.341
SAD-SAT-689b7d5a-5
0.341
MAK-UNK-129dcd6f-12
0.341
MAK-UNK-129dcd6f-4
0.340
WAR-XCH-6eb0722e-1
0.340
SAD-SAT-135344c3-9
0.340
WAR-XCH-6eb0722e-3
0.340