Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CN1CCOCC1)c1cccc(Cl)c1 |
MW: | 346.818 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 57.7 |
cLogP: | 3.0632 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
JOR-UNI-2fc98d0b-16
0.763
JOR-UNI-2fc98d0b-4
0.744
JOR-UNI-2fc98d0b-3
0.744
JOR-UNI-2fc98d0b-5
0.744
JOR-UNI-2fc98d0b-6
0.725
JOR-UNI-2fc98d0b-14
0.725
JOR-UNI-61e7b1d5-3
0.707
JOR-UNI-2fc98d0b-9
0.648
JOR-UNI-2fc98d0b-17
0.581
JOR-UNI-2fc98d0b-11
0.581
JOR-UNI-2fc98d0b-2
0.580
JOR-UNI-2fc98d0b-8
0.580
JOR-UNI-2fc98d0b-10
0.568
JOR-UNI-2fc98d0b-13
0.568
JOR-UNI-2fc98d0b-15
0.556
ERI-UCB-ce40166b-23
0.547
JOR-UNI-2fc98d0b-12
0.534
JOR-UNI-61e7b1d5-12
0.527
JOR-UNI-61e7b1d5-16
0.527
JOR-UNI-61e7b1d5-5
0.522
JOR-UNI-61e7b1d5-14
0.522
JOR-UNI-61e7b1d5-22
0.511
JOR-UNI-61e7b1d5-4
0.505
JOR-UNI-61e7b1d5-10
0.475
JOR-UNI-61e7b1d5-17
0.429
EDG-MED-0da5ad92-2
0.420
MAR-TRE-2fd8122f-88
0.415
JOR-UNI-61e7b1d5-28
0.414
JOR-UNI-61e7b1d5-30
0.414
JOR-UNI-61e7b1d5-26
0.410
KEI-TRE-d5e2018a-16
0.409
JOR-UNI-61e7b1d5-24
0.406
JOR-UNI-61e7b1d5-7
0.404
JOR-UNI-61e7b1d5-9
0.404
EDG-MED-0da5ad92-20
0.396
WIL-UNI-5578df48-3
0.395
KEI-TRE-d5e2018a-19
0.391
JOR-UNI-61e7b1d5-11
0.389
EMI-TUK-a58865cc-5
0.386
WIL-UNI-5578df48-2
0.385
JOR-UNI-61e7b1d5-20
0.384
WAR-XCH-eb7b662f-7
0.383
JOR-UNI-2fc98d0b-7
0.383
DAR-DIA-23aa0b97-14
0.383
JAN-GHE-83b26c96-19
0.383
JOR-UNI-61e7b1d5-13
0.381
JOR-UNI-61e7b1d5-18
0.380
CHR-SOS-7098f804-12
0.378
EMI-TUK-a58865cc-7
0.378
JOR-UNI-61e7b1d5-15
0.377
JOR-UNI-61e7b1d5-6
0.374
EMI-TUK-a58865cc-6
0.374
JOR-UNI-61e7b1d5-23
0.370
MAK-UNK-a7b37c5e-4
0.370
EMI-TUK-a58865cc-4
0.370
EMI-TUK-a58865cc-3
0.367
ASH-UNK-40b46b30-3
0.367
MAR-TRE-d0525fbf-84
0.366
SAD-SAT-135344c3-8
0.364
MIC-UNK-bcd487e9-1
0.360
ASH-UNK-40b46b30-9
0.359
DAR-DIA-23aa0b97-16
0.357
EMI-TUK-a58865cc-2
0.355
KAY-MCD-59dc2eb3-1
0.355
KEI-TRE-d5e2018a-22
0.354
KEI-TRE-d5e2018a-36
0.354
KEI-TRE-d5e2018a-9
0.354
KEI-TRE-d5e2018a-13
0.354
MAT-POS-136e7878-1
0.353
EMI-TUK-a58865cc-1
0.351
KEI-TRE-d5e2018a-10
0.351
MAR-TRE-2fd8122f-9
0.350
KEI-TRE-d5e2018a-6
0.350
ALE-HEI-f28a35b5-14
0.350
MAR-TRE-7f7bb9f0-84
0.350
ADA-UNI-f8e79267-12
0.347
ADA-UNI-f8e79267-11
0.347
JAN-GHE-f4ca5a00-11
0.347
MAR-TRE-2fd8122f-35
0.346
VLA-UCB-34f3ed0c-13
0.346
DAR-DIA-43a5904b-16
0.345
ADA-UNI-f8e79267-8
0.343
MAR-TRE-2fd8122f-94
0.343
MIC-UNK-bcd487e9-10
0.343
MAK-UNK-ca11b4f7-1
0.342
SAD-SAT-24589cd1-4
0.341
WIL-UNI-5578df48-1
0.341
MAR-TRE-3e4e6814-34
0.340
MAK-UNK-f0bfc2e0-1
0.340
KEI-TRE-d5e2018a-32
0.340
ADA-UNI-f8e79267-10
0.340
MAR-TRE-2fd8122f-89
0.340
ADA-UNI-f8e79267-9
0.340
SAD-SAT-135344c3-1
0.340
DAR-DIA-23aa0b97-15
0.337
DAR-DIA-842b4336-11
0.337
NAU-LAT-445f63e5-6
0.337
JOH-UNI-abdb2f0c-1
0.337
MAR-TRE-2fd8122f-15
0.337
MAR-TRE-2fd8122f-96
0.337