Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CCN1CCCCC1)c1cccc(Cl)c1 |
MW: | 358.873 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.47 |
cLogP: | 4.2594 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOR-UNI-2fc98d0b-11
0.813
JOR-UNI-2fc98d0b-6
0.769
JOR-UNI-2fc98d0b-10
0.769
JOR-UNI-2fc98d0b-13
0.769
JOR-UNI-2fc98d0b-15
0.750
JOR-UNI-2fc98d0b-9
0.747
JOR-UNI-2fc98d0b-16
0.718
JOR-UNI-61e7b1d5-30
0.707
JOR-UNI-2fc98d0b-12
0.667
JOR-UNI-2fc98d0b-8
0.662
JOR-UNI-2fc98d0b-2
0.641
JOR-UNI-2fc98d0b-5
0.619
ERI-UCB-ce40166b-23
0.602
JOR-UNI-2fc98d0b-1
0.581
JOR-UNI-2fc98d0b-3
0.581
JOR-UNI-2fc98d0b-4
0.581
JOR-UNI-61e7b1d5-28
0.573
JOR-UNI-2fc98d0b-14
0.568
JOR-UNI-61e7b1d5-26
0.549
JOR-UNI-61e7b1d5-16
0.543
JOR-UNI-61e7b1d5-24
0.543
JOR-UNI-61e7b1d5-10
0.536
JOR-UNI-61e7b1d5-31
0.510
JOR-UNI-61e7b1d5-18
0.468
VLA-UCB-34f3ed0c-13
0.455
JOR-UNI-61e7b1d5-9
0.451
JOR-UNI-61e7b1d5-14
0.443
JOR-UNI-61e7b1d5-7
0.435
KEI-TRE-d5e2018a-16
0.424
MAT-POS-136e7878-1
0.423
EMI-TUK-a58865cc-5
0.419
JOR-UNI-61e7b1d5-12
0.418
JOR-UNI-61e7b1d5-3
0.414
JOR-UNI-61e7b1d5-5
0.414
JOR-UNI-61e7b1d5-29
0.413
JOR-UNI-61e7b1d5-20
0.412
EMI-TUK-a58865cc-7
0.409
KEI-TRE-d5e2018a-19
0.407
JOR-UNI-61e7b1d5-22
0.406
EMI-TUK-a58865cc-6
0.404
MIC-UNK-cdc2493e-23
0.404
EMI-TUK-a58865cc-4
0.400
JOR-UNI-61e7b1d5-27
0.396
MIC-UNK-cdc2493e-22
0.394
VLA-UCB-05e51b3f-14
0.392
EDJ-MED-c314995a-1
0.392
MIC-UNK-cdc2493e-24
0.392
JOR-UNI-61e7b1d5-11
0.389
JOR-UNI-61e7b1d5-25
0.389
JOR-UNI-61e7b1d5-17
0.389
MIC-UNK-cdc2493e-1
0.386
EDG-MED-0da5ad92-2
0.386
WIL-UNI-5578df48-2
0.385
JAN-GHE-83b26c96-19
0.383
DAR-DIA-23aa0b97-14
0.383
JOR-UNI-2fc98d0b-7
0.383
WAR-XCH-eb7b662f-7
0.383
WIL-UNI-5578df48-3
0.379
CHR-SOS-7098f804-12
0.378
JAN-GHE-f4ca5a00-11
0.375
MIC-UNK-bcd487e9-2
0.369
EMI-TUK-a58865cc-3
0.367
ASH-UNK-40b46b30-3
0.367
RAY-UNI-5365d7e5-1
0.364
SAD-SAT-135344c3-8
0.364
MIC-UNK-bcd487e9-3
0.363
ADA-UNI-f8e79267-12
0.362
ASH-UNK-40b46b30-9
0.359
MIC-UNK-cdc2493e-15
0.355
MIC-UNK-cdc2493e-2
0.355
EMI-TUK-a58865cc-2
0.355
KAY-MCD-59dc2eb3-1
0.355
EDG-MED-0da5ad92-20
0.354
ADA-UNI-f8e79267-9
0.354
MAR-TRE-d0525fbf-84
0.353
JOR-UNI-61e7b1d5-15
0.352
JOR-UNI-61e7b1d5-19
0.352
EMI-TUK-a58865cc-1
0.351
MIC-UNK-cdc2493e-3
0.350
MIC-UNK-cdc2493e-19
0.350
DAR-DIA-43a5904b-15
0.348
ADA-UNI-f8e79267-11
0.347
MIC-UNK-bcd487e9-10
0.343
MAT-UCB-93f6aed8-2
0.343
MAK-UNK-ca11b4f7-1
0.342
WIL-UNI-5578df48-1
0.341
MAK-UNK-f0bfc2e0-1
0.340
ADA-UNI-f8e79267-10
0.340
MIC-UNK-cdc2493e-16
0.340
MAK-UNK-a7b37c5e-4
0.337
ASH-UNK-40b46b30-1
0.337
BEN-BAS-e0d85f98-1
0.337
JOR-UNI-61e7b1d5-21
0.336
MIC-UNK-bcd487e9-9
0.336
MIC-UNK-bcd487e9-4
0.336
MIC-UNK-bcd487e9-6
0.336
BEN-DND-61647d40-19
0.333
ADA-UCB-dc2b944c-6
0.333
MAC-MCD-76766525-1
0.331
JOR-UNI-61e7b1d5-13
0.330