Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(c1ccccc1)c1cc(OC(F)F)c2cnccc2c1 |
MW: | 406.392 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 67.35 |
cLogP: | 5.6014 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-2
0.542
WIL-UNI-5578df48-1
0.494
EMI-TUK-a58865cc-3
0.465
EMI-TUK-a58865cc-1
0.461
EMI-TUK-a58865cc-2
0.449
MAK-UNK-f0bfc2e0-1
0.433
WIL-UNI-5578df48-6
0.420
BEN-BAS-e0d85f98-1
0.394
EMI-TUK-a58865cc-5
0.389
EMI-TUK-a58865cc-7
0.380
IAN-BAS-0ac8c25d-1
0.379
WIL-UNI-5578df48-4
0.378
EMI-TUK-a58865cc-6
0.376
WIL-UNI-5578df48-5
0.374
ASH-UNK-40b46b30-1
0.367
WIL-UNI-5578df48-3
0.367
ERI-UCB-ce40166b-23
0.360
EMI-TUK-a58865cc-4
0.358
WIL-UNI-5578df48-7
0.356
ASH-UNK-40b46b30-3
0.355
JOR-UNI-2fc98d0b-2
0.351
ASH-UNK-40b46b30-9
0.347
KEI-TRE-d5e2018a-81
0.340
JOR-UNI-2fc98d0b-8
0.337
WIL-UNI-5578df48-33
0.337
AAR-POS-d2a4d1df-11
0.333
JOR-UNI-2fc98d0b-17
0.324
JOR-UNI-2fc98d0b-11
0.324
JOR-UNI-61e7b1d5-7
0.324
BAR-COM-21d20d65-9
0.323
DAR-DIA-fc970077-9
0.322
CHR-SOS-7098f804-18
0.320
MAR-TRE-3e4e6814-50
0.319
JOR-UNI-2fc98d0b-13
0.318
JOR-UNI-2fc98d0b-6
0.318
JOR-UNI-2fc98d0b-10
0.318
SAN-PRS-52b81272-3
0.318
KEI-TRE-d5e2018a-80
0.317
KEI-TRE-d5e2018a-25
0.316
JOR-UNI-2fc98d0b-12
0.314
MAC-MCD-76766525-1
0.312
JOR-UNI-2fc98d0b-15
0.312
JOR-UNI-61e7b1d5-9
0.311
KAY-MCD-59dc2eb3-1
0.310
JOR-UNI-2fc98d0b-9
0.310
DAR-DIA-fc970077-14
0.309
WIL-UNI-5578df48-39
0.308
AUS-ARG-7cfdce8f-11
0.307
JOR-UNI-2fc98d0b-14
0.306
KEI-TRE-d5e2018a-87
0.306
CHR-SOS-70e4c98a-8
0.305
JOR-UNI-2fc98d0b-16
0.305
KEI-TRE-d5e2018a-34
0.304
KEI-TRE-d5e2018a-40
0.303
WIL-UNI-5578df48-20
0.303
SAN-PRS-52b81272-2
0.302
JOR-UNI-61e7b1d5-30
0.300
MAK-UNK-ca11b4f7-3
0.300
JOR-UNI-61e7b1d5-28
0.300
CHR-SOS-7098f804-16
0.300
JOR-UNI-2fc98d0b-1
0.299
JOR-UNI-2fc98d0b-5
0.299
JOR-UNI-2fc98d0b-4
0.299
JOR-UNI-2fc98d0b-3
0.299
ADA-UNI-f8e79267-4
0.299
CHR-SOS-70e4c98a-3
0.299
WAR-XCH-eb7b662f-3
0.299
CHR-SOS-70e4c98a-6
0.298
JOR-UNI-61e7b1d5-26
0.297
KEI-TRE-d5e2018a-64
0.296
DAR-DIA-23aa0b97-15
0.295
CHR-SOS-f7373dd1-4
0.295
JOR-UNI-61e7b1d5-16
0.295
JOR-UNI-61e7b1d5-24
0.295
JOR-UNI-61e7b1d5-18
0.294
KEI-TRE-d5e2018a-27
0.293
CHR-SOS-70e4c98a-1
0.293
MAR-TRE-7f7bb9f0-16
0.293
WAR-XCH-eb7b662f-7
0.292
WAR-XCH-eb7b662f-6
0.292
JAN-GHE-83b26c96-19
0.292
DAR-DIA-23aa0b97-14
0.292
JOR-UNI-2fc98d0b-7
0.292
SAD-SAT-689b7d5a-4
0.292
MAR-TRE-04c86cea-97
0.292
ADA-UNI-f8e79267-5
0.292
KEI-TRE-d5e2018a-69
0.290
KEI-TRE-d5e2018a-29
0.290
CHR-SOS-f7373dd1-1
0.289
CHR-SOS-7098f804-14
0.289
CHR-SOS-363cfb78-3
0.288
JOR-UNI-61e7b1d5-10
0.288
MAR-TRE-67513f76-81
0.287
WIL-UNI-5578df48-8
0.287
MAR-TRE-f6f5f473-78
0.287
KEI-TRE-d5e2018a-55
0.287
KEI-TRE-d5e2018a-74
0.287
SAM-UNK-2684b532-2
0.287
ADA-UNI-f8e79267-1
0.287
MAR-TRE-74c6519b-51
0.287