Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CN1CCCCC1)c1cccc(Cl)c1 |
MW: | 344.846 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 48.47 |
cLogP: | 4.2169 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
JOR-UNI-2fc98d0b-5
0.787
JOR-UNI-2fc98d0b-4
0.787
JOR-UNI-2fc98d0b-1
0.763
JOR-UNI-2fc98d0b-3
0.763
JOR-UNI-2fc98d0b-14
0.744
JOR-UNI-2fc98d0b-17
0.718
JOR-UNI-2fc98d0b-11
0.614
JOR-UNI-2fc98d0b-10
0.600
JOR-UNI-2fc98d0b-8
0.595
JOR-UNI-2fc98d0b-2
0.595
JOR-UNI-2fc98d0b-12
0.583
JOR-UNI-2fc98d0b-6
0.581
JOR-UNI-2fc98d0b-13
0.581
JOR-UNI-2fc98d0b-9
0.571
JOR-UNI-2fc98d0b-15
0.568
JOR-UNI-61e7b1d5-12
0.557
JOR-UNI-61e7b1d5-14
0.551
ERI-UCB-ce40166b-23
0.541
JOR-UNI-61e7b1d5-3
0.533
JOR-UNI-61e7b1d5-5
0.533
JOR-UNI-61e7b1d5-22
0.522
JOR-UNI-61e7b1d5-30
0.516
JOR-UNI-61e7b1d5-28
0.438
KEI-TRE-d5e2018a-16
0.433
JOR-UNI-61e7b1d5-26
0.433
JOR-UNI-61e7b1d5-20
0.421
JOR-UNI-61e7b1d5-31
0.417
JOR-UNI-61e7b1d5-18
0.417
KEI-TRE-d5e2018a-19
0.416
JOR-UNI-61e7b1d5-16
0.414
JOR-UNI-61e7b1d5-24
0.414
JOR-UNI-61e7b1d5-10
0.413
JOR-UNI-61e7b1d5-7
0.413
JOR-UNI-61e7b1d5-9
0.413
EDG-MED-0da5ad92-2
0.412
EMI-TUK-a58865cc-5
0.395
WIL-UNI-5578df48-2
0.395
DAR-DIA-23aa0b97-14
0.392
JAN-GHE-83b26c96-19
0.392
WAR-XCH-eb7b662f-7
0.392
JOR-UNI-2fc98d0b-7
0.392
JOR-UNI-61e7b1d5-13
0.388
WIL-UNI-5578df48-3
0.388
CHR-SOS-7098f804-12
0.388
EMI-TUK-a58865cc-7
0.386
ADA-UNI-f8e79267-11
0.385
JOR-UNI-61e7b1d5-15
0.385
EMI-TUK-a58865cc-4
0.378
ASH-UNK-40b46b30-3
0.375
EMI-TUK-a58865cc-3
0.375
MAT-POS-136e7878-1
0.374
JOR-UNI-61e7b1d5-4
0.371
SAD-SAT-135344c3-8
0.371
ADA-UNI-f8e79267-12
0.370
JOR-UNI-61e7b1d5-6
0.368
EMI-TUK-a58865cc-6
0.367
ASH-UNK-40b46b30-9
0.367
VLA-UCB-34f3ed0c-13
0.365
ADA-UNI-f8e79267-8
0.365
JOR-UNI-61e7b1d5-23
0.364
MIC-UNK-bcd487e9-2
0.363
EMI-TUK-a58865cc-2
0.363
EDG-MED-0da5ad92-20
0.361
ADA-UNI-f8e79267-9
0.361
MAR-TRE-d0525fbf-84
0.360
EMI-TUK-a58865cc-1
0.359
MIC-UNK-bcd487e9-3
0.356
JOR-UNI-61e7b1d5-29
0.355
JAN-GHE-f4ca5a00-11
0.354
JOR-UNI-61e7b1d5-27
0.352
MAK-UNK-ca11b4f7-1
0.351
AAR-POS-d2a4d1df-13
0.349
FRA-FAC-9ed5a63a-1
0.349
ALE-HEI-f28a35b5-9
0.349
WIL-UNI-5578df48-1
0.349
KAY-MCD-59dc2eb3-1
0.349
ADA-UNI-f8e79267-10
0.347
MAC-MCD-76766525-1
0.347
EDJ-MED-c314995a-1
0.346
VLA-UCB-05e51b3f-14
0.346
JOR-UNI-61e7b1d5-19
0.346
MAK-UNK-a7b37c5e-4
0.346
BEN-BAS-e0d85f98-1
0.343
JOR-UNI-61e7b1d5-21
0.343
DAR-DIA-43a5904b-15
0.342
LON-WEI-120e5cf5-11
0.341
SEA-TRI-6388eba6-1
0.341
MIC-UNK-bcd487e9-1
0.340
MIC-UNK-cdc2493e-1
0.340
WIL-UNI-5578df48-4
0.337
MAR-TRE-2fd8122f-88
0.337
MIC-UNK-bcd487e9-10
0.337
VLA-UCB-34f3ed0c-7
0.336
JOR-UNI-61e7b1d5-11
0.336
JOR-UNI-61e7b1d5-25
0.333
MAK-UNK-f0bfc2e0-1
0.333
ADA-UNI-f8e79267-7
0.333
MED-UNK-e6e8ef8a-4
0.333
DAR-DIA-23aa0b97-16
0.333
SAD-SAT-135344c3-9
0.333