Molecular Properties | |
SMILES: | NC(N)=NCCN(C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 298.35 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 109.63 |
cLogP: | 1.3935 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
EMI-TUK-a58865cc-7
0.662
EMI-TUK-a58865cc-5
0.632
EMI-TUK-a58865cc-4
0.597
WIL-UNI-5578df48-3
0.580
ASH-UNK-40b46b30-3
0.534
WIL-UNI-5578df48-2
0.516
ERI-UCB-ce40166b-23
0.488
JOR-UNI-2fc98d0b-2
0.481
JOR-UNI-61e7b1d5-7
0.458
EMI-TUK-a58865cc-1
0.450
WIL-UNI-5578df48-4
0.447
WIL-UNI-5578df48-1
0.446
JOR-UNI-2fc98d0b-8
0.444
JOR-UNI-61e7b1d5-9
0.424
EMI-TUK-a58865cc-2
0.420
EMI-TUK-a58865cc-3
0.418
JOR-UNI-2fc98d0b-6
0.411
JOR-UNI-2fc98d0b-12
0.409
KAY-MCD-59dc2eb3-1
0.408
WIL-UNI-5578df48-8
0.408
ASH-UNK-40b46b30-9
0.407
JOR-UNI-2fc98d0b-11
0.404
JOR-UNI-2fc98d0b-17
0.404
MAK-UNK-f0bfc2e0-1
0.402
SAN-PRS-52b81272-2
0.400
KEI-TRE-d5e2018a-81
0.400
JOR-UNI-2fc98d0b-10
0.396
JOR-UNI-61e7b1d5-18
0.396
JOR-UNI-2fc98d0b-13
0.396
WJF-WAB-092bbb97-1
0.395
JOR-UNI-61e7b1d5-16
0.394
JOR-UNI-61e7b1d5-28
0.387
JOR-UNI-61e7b1d5-30
0.387
JOR-UNI-2fc98d0b-15
0.387
DAR-DIA-fc970077-9
0.384
WIL-UNI-5578df48-6
0.384
JOR-UNI-61e7b1d5-26
0.383
AAR-POS-d2a4d1df-11
0.382
JOR-UNI-2fc98d0b-9
0.381
SAN-PRS-52b81272-3
0.380
JOR-UNI-61e7b1d5-24
0.379
BEN-BAS-3b12fa42-1
0.376
JOR-UNI-2fc98d0b-1
0.374
JOR-UNI-2fc98d0b-5
0.374
JOR-UNI-2fc98d0b-3
0.374
CHR-SOS-59746812-1
0.370
MAK-UNK-a7b37c5e-4
0.370
MAR-TRE-67513f76-81
0.369
SIM-SYN-a98e6a07-2
0.369
JOR-UNI-2fc98d0b-16
0.367
JOR-UNI-61e7b1d5-10
0.366
CHR-SOS-59746812-5
0.366
JOR-UNI-2fc98d0b-14
0.366
AUS-ARG-7cfdce8f-11
0.365
JOR-UNI-61e7b1d5-8
0.362
JOR-UNI-2fc98d0b-4
0.359
JOH-IMS-62aeb97d-5
0.358
MAK-UNK-ca11b4f7-1
0.358
MAR-TRE-04c86cea-97
0.358
JOR-UNI-61e7b1d5-5
0.358
JOR-UNI-61e7b1d5-3
0.358
JOR-UNI-61e7b1d5-14
0.358
SAD-SAT-24589cd1-4
0.356
JOH-IMS-62aeb97d-2
0.355
JOR-UNI-61e7b1d5-20
0.355
KEI-TRE-d5e2018a-71
0.352
MAC-MCD-76766525-1
0.351
MED-UNK-e6e8ef8a-5
0.351
JOR-UNI-61e7b1d5-22
0.351
CHR-SOS-70e4c98a-6
0.350
ADA-UNI-f8e79267-4
0.349
JOR-UNI-61e7b1d5-12
0.347
MAK-UNK-a7b37c5e-2
0.346
WIL-UNI-5578df48-15
0.346
MAR-TRE-74c6519b-47
0.346
CHR-SOS-f7373dd1-4
0.346
BAR-COM-21d20d65-9
0.345
MAR-TRE-4b834d9a-49
0.345
MAK-UNK-ca11b4f7-2
0.343
MAK-UNK-ca11b4f7-3
0.343
ADA-UNI-f8e79267-5
0.341
CHR-SOS-70e4c98a-8
0.341
DAR-DIA-23aa0b97-16
0.338
CHR-SOS-f7373dd1-1
0.337
ADA-UNI-f8e79267-1
0.333
BEN-DND-362d364a-12
0.333
DRE-WAB-ae4a693c-1
0.333
ASH-UNK-40b46b30-1
0.333
SIM-SYN-a98e6a07-1
0.333
PET-SGC-d0156db4-1
0.333
WIL-UNI-5578df48-7
0.333
EDG-MED-0da5ad92-2
0.333
MAR-TRE-2fd8122f-78
0.333
CHR-SOS-70e4c98a-3
0.333
MAK-UNK-009ebe36-8
0.333
PET-SGC-b0f8bd49-1
0.333
KEI-TRE-d5e2018a-24
0.330
BAR-COM-21d20d65-8
0.330
WIL-UNI-5578df48-28
0.329
DAR-DIA-fc970077-14
0.329