Molecular Properties | |
SMILES: | CC(C)(C#N)c1cccc(N(C(=O)Nc2cccnc2)c2ccc(F)cc2)c1 |
MW: | 374.15 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.02 |
cLogP: | 5.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-1
0.573
WIL-UNI-5578df48-39
0.522
BEN-BAS-e0d85f98-1
0.517
WIL-UNI-5578df48-19
0.506
WIL-UNI-5578df48-7
0.469
EMI-TUK-a58865cc-3
0.464
ASH-UNK-40b46b30-1
0.456
WIL-UNI-5578df48-38
0.441
WIL-UNI-5578df48-2
0.440
EMI-TUK-a58865cc-2
0.432
EMI-TUK-a58865cc-1
0.427
MAK-UNK-f0bfc2e0-1
0.416
KEI-TRE-d5e2018a-55
0.380
KEI-TRE-d5e2018a-42
0.378
WIL-UNI-5578df48-31
0.378
WIL-UNI-5578df48-21
0.369
JOR-UNI-61e7b1d5-9
0.361
WIL-UNI-5578df48-4
0.360
MAR-TRE-7f7bb9f0-56
0.356
JOR-UNI-61e7b1d5-26
0.356
WIL-UNI-5578df48-22
0.352
JOR-UNI-61e7b1d5-12
0.350
MAK-UNK-a7b37c5e-5
0.349
JOR-UNI-61e7b1d5-7
0.347
WIL-UNI-5578df48-5
0.341
KEI-TRE-d5e2018a-25
0.340
MAR-TRE-2fd8122f-84
0.340
JOR-UNI-61e7b1d5-18
0.340
JOR-UNI-61e7b1d5-22
0.340
SAD-SAT-689b7d5a-3
0.337
WIL-UNI-5578df48-34
0.337
BEN-BAS-3b12fa42-1
0.337
LON-WEI-adc59df6-41
0.337
DAR-DIA-23aa0b97-5
0.333
WAR-XCH-eb7b662f-6
0.333
JOR-UNI-61e7b1d5-14
0.333
WIL-UNI-5578df48-6
0.333
JOR-UNI-61e7b1d5-27
0.333
ANN-UNI-26382800-4
0.333
WAR-XCH-eb7b662f-1
0.333
JOR-UNI-2fc98d0b-8
0.333
SAD-SAT-689b7d5a-8
0.333
JOR-UNI-61e7b1d5-2
0.333
WIL-UNI-5578df48-3
0.333
JOR-UNI-61e7b1d5-28
0.333
JOR-UNI-61e7b1d5-20
0.330
WIL-UNI-5578df48-32
0.330
ISA-SCH-8e98219b-1
0.329
MAK-UNK-ca11b4f7-3
0.329
JOR-UNI-61e7b1d5-16
0.327
JOR-UNI-2fc98d0b-10
0.327
KEI-TRE-d5e2018a-29
0.326
EMI-TUK-a58865cc-5
0.326
MAR-TRE-3e4e6814-66
0.323
JOR-UNI-61e7b1d5-1
0.323
ASH-UNK-40b46b30-3
0.323
DAR-DIA-842b4336-5
0.322
CHR-SOS-363cfb78-1
0.322
DAR-DIA-23aa0b97-15
0.321
JOR-UNI-61e7b1d5-3
0.321
JOR-UNI-61e7b1d5-30
0.321
JOR-UNI-61e7b1d5-5
0.321
JOR-UNI-2fc98d0b-4
0.320
KEI-TRE-d5e2018a-95
0.320
MAR-TRE-d0525fbf-92
0.320
JOR-UNI-2fc98d0b-2
0.320
EMI-TUK-a58865cc-7
0.319
JOR-UNI-61e7b1d5-10
0.319
MAK-UNK-37f1d6fa-6
0.319
JOR-UNI-61e7b1d5-13
0.318
JOH-UNK-14e6adc5-2
0.318
ANN-UNI-26382800-3
0.318
ASH-UNK-40b46b30-9
0.316
MAR-TRE-67513f76-81
0.316
JOR-UNI-61e7b1d5-19
0.315
LON-WEI-adc59df6-46
0.315
JOR-UNI-61e7b1d5-24
0.315
JOR-UNI-2fc98d0b-14
0.314
PET-UNK-48ab5cd7-6
0.314
MAK-UNK-10dfa458-24
0.313
BAR-COM-21d20d65-6
0.313
TAM-UNI-c140e31a-3
0.312
MAK-UNK-ca11b4f7-2
0.312
ASH-UNK-40b46b30-7
0.311
JOR-UNI-61e7b1d5-8
0.311
DAR-DIA-842b4336-6
0.311
JOR-UNI-2fc98d0b-12
0.311
DAR-DIA-23aa0b97-16
0.310
SAD-SAT-24589cd1-4
0.310
HUB-UNK-9845d277-16
0.309
IAN-BAS-df1706d7-1
0.309
JOR-UNI-2fc98d0b-15
0.308
JOR-UNI-2fc98d0b-11
0.308
WAR-XCH-eb7b662f-2
0.308
JOR-UNI-2fc98d0b-5
0.308
JOH-IMS-62aeb97d-5
0.308
MAR-TRE-04c86cea-35
0.307
KEI-TRE-d5e2018a-1
0.306
KEI-TRE-d5e2018a-24
0.306
MAR-TRE-2fd8122f-45
0.306