Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1N(CCN1CCCCC1)C(=O)Nc1cccnc1 |
MW: | 393.495 |
Fraction sp3: | 0.43 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 97.18 |
cLogP: | 3.30448 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOR-UNI-61e7b1d5-29
0.849
JOR-UNI-61e7b1d5-27
0.818
JOR-UNI-61e7b1d5-25
0.800
JOR-UNI-61e7b1d5-17
0.800
JOR-UNI-61e7b1d5-11
0.779
JOR-UNI-61e7b1d5-19
0.699
JOR-UNI-61e7b1d5-8
0.678
JOR-UNI-61e7b1d5-15
0.663
JOR-UNI-61e7b1d5-21
0.649
JOR-UNI-61e7b1d5-13
0.635
JOR-UNI-61e7b1d5-4
0.629
JOR-UNI-61e7b1d5-6
0.622
JOR-UNI-61e7b1d5-23
0.616
JOR-UNI-61e7b1d5-30
0.583
JOR-UNI-2fc98d0b-17
0.510
JOR-UNI-61e7b1d5-28
0.490
JOR-UNI-61e7b1d5-26
0.471
JOR-UNI-61e7b1d5-16
0.453
JOR-UNI-61e7b1d5-24
0.453
JOR-UNI-61e7b1d5-10
0.450
JOR-UNI-61e7b1d5-14
0.434
JOR-UNI-61e7b1d5-1
0.433
JOR-UNI-2fc98d0b-11
0.423
JOR-UNI-2fc98d0b-16
0.417
JOR-UNI-2fc98d0b-10
0.415
JOR-UNI-61e7b1d5-18
0.415
JOR-UNI-61e7b1d5-12
0.411
JOR-UNI-61e7b1d5-20
0.406
JOR-UNI-61e7b1d5-22
0.400
JOR-UNI-61e7b1d5-9
0.398
JOR-UNI-2fc98d0b-15
0.394
JOR-UNI-61e7b1d5-3
0.394
JOR-UNI-61e7b1d5-5
0.394
JOR-UNI-2fc98d0b-9
0.389
JOR-UNI-2fc98d0b-13
0.389
JOR-UNI-2fc98d0b-6
0.389
JOR-UNI-61e7b1d5-7
0.385
JOR-UNI-2fc98d0b-5
0.370
JOR-UNI-2fc98d0b-12
0.361
JOR-UNI-2fc98d0b-4
0.358
DAR-DIA-23aa0b97-5
0.347
JOR-UNI-61e7b1d5-2
0.347
WAR-XCH-eb7b662f-1
0.347
ANN-UNI-26382800-4
0.347
GAB-REV-df64cf17-10
0.345
JOR-UNI-2fc98d0b-14
0.339
CHR-SOS-363cfb78-1
0.337
JOR-UNI-2fc98d0b-1
0.333
JOR-UNI-2fc98d0b-3
0.333
ANN-UNI-26382800-5
0.333
MAK-UNK-30aad1f1-6
0.333
JOR-UNI-2fc98d0b-8
0.333
MAK-UNK-51bb34f9-3
0.327
ASH-UNK-40b46b30-3
0.324
MAK-UNK-51bb34f9-2
0.322
JOR-UNI-2fc98d0b-2
0.321
DAR-DIA-23aa0b97-17
0.320
JOH-UNK-14e6adc5-2
0.319
ANN-UNI-26382800-3
0.319
MAR-TRE-2fd8122f-30
0.318
GAB-REV-df64cf17-17
0.317
SAD-SAT-135344c3-9
0.315
MAK-UNK-30aad1f1-8
0.315
EMI-TUK-a58865cc-5
0.314
WIL-UNI-5578df48-19
0.314
DUN-NEW-f8ce3686-17
0.312
PET-SGC-0f1d26ed-1
0.311
PET-SGC-1fc12be1-1
0.310
WAR-XCH-eb7b662f-2
0.310
MAK-UNK-30aad1f1-1
0.310
MAK-UNK-30aad1f1-7
0.309
DAR-DIA-842b4336-2
0.309
JAN-GHE-fd8d85a5-6
0.308
SAD-SAT-cefd50cc-10
0.308
EMI-TUK-a58865cc-7
0.308
WIL-UNI-5578df48-3
0.307
ERI-UCB-ce40166b-23
0.306
JOH-IMS-62aeb97d-4
0.305
ALE-HEI-f28a35b5-16
0.305
EMI-TUK-a58865cc-6
0.305
JAN-GHE-fd8d85a5-1
0.304
WAR-XCH-6eb0722e-1
0.304
MAK-UNK-ec98eaf6-37
0.304
WIL-UNI-5578df48-30
0.304
DAR-DIA-842b4336-9
0.303
BAR-COM-21d20d65-6
0.303
SAD-SAT-f25ee457-3
0.303
ALE-HEI-f28a35b5-8
0.302
MAK-UNK-30aad1f1-12
0.302
EMI-TUK-a58865cc-4
0.302
ASH-UNK-40b46b30-1
0.300
JOH-UNI-abdb2f0c-2
0.299
TRY-UNI-1fd04853-2
0.299
KAY-MCD-59dc2eb3-1
0.298
BEN-VAN-ed886787-11
0.298
MAK-UNK-009ebe36-7
0.298
WIL-UNI-5578df48-33
0.298
BAR-COM-21d20d65-7
0.297
GAB-REV-df64cf17-16
0.297
MAR-TRE-2fd8122f-57
0.297