Molecular Properties | |
SMILES: | Cc1cc(CN2CCN(C(=O)CCl)CC2)ccc1NCCNCN1CCC(O)CC1 |
MW: | 438.016 |
Fraction sp3: | 0.68 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 71.08 |
cLogP: | 1.29372 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
Aliphatic long chain
Methylendiamines (2)
acyclic N-C-N
MAK-UNK-e4a48a85-19
0.457
AAR-POS-d2a4d1df-24
0.450
MAK-UNK-e4a48a85-7
0.448
JOH-UNI-0e1753c1-3
0.420
AAR-POS-d2a4d1df-35
0.420
MED-COV-4280ac29-15
0.420
HYO-UNK-49a60884-1
0.420
DRR-IMP-38dce17f-2
0.410
MAK-UNK-e4a48a85-26
0.400
MAK-UNK-af83ef51-14
0.396
JOK-SYG-18591e8f-1
0.395
MAK-UNK-7c9d1431-29
0.392
SAD-SAT-5b1897b2-5
0.391
MAT-POS-ee51dedd-1
0.391
MAK-UNK-e4a48a85-14
0.390
MAK-UNK-6ca90168-14
0.390
DRR-IMP-38dce17f-7
0.390
TAM-UNI-d1c3dd9f-6
0.389
PAU-UNI-8cdd41c7-1
0.388
MAK-UNK-af83ef51-16
0.383
SAD-SAT-581007d4-2
0.381
MAK-UNK-849bee6c-14
0.378
MAK-UNK-7c9d1431-14
0.375
MAK-UNK-7c9d1431-16
0.375
MAK-UNK-cd94b63c-1
0.375
MAK-UNK-176ca439-3
0.375
MAR-TRE-6a44bbf2-54
0.375
DRR-IMP-38dce17f-6
0.370
MAK-UNK-7c9d1431-21
0.368
MAK-UNK-849bee6c-6
0.366
MAK-UNK-849bee6c-19
0.365
JIA-UNI-93b03cae-1
0.365
MAK-UNK-7c9d1431-24
0.362
DRR-IMP-38dce17f-3
0.362
SEL-UNI-cd366922-7
0.362
MAK-UNK-212f693e-8
0.361
LON-WEI-8f408cad-7
0.361
AAR-POS-0daf6b7e-13
0.361
TAM-UNI-d1c3dd9f-5
0.361
MAK-UNK-7c9d1431-18
0.359
TAM-UNI-d1c3dd9f-12
0.357
SAD-SAT-581007d4-4
0.356
DAR-DIA-fb20be43-3
0.354
MAK-UNK-849bee6c-7
0.351
MAK-UNK-176ca439-4
0.350
MAK-UNK-3c359d2a-1
0.350
MAK-UNK-af83ef51-27
0.349
MAK-UNK-849bee6c-15
0.349
MAK-UNK-10dfa458-43
0.349
MAK-UNK-10dfa458-45
0.349
SAD-SAT-581007d4-7
0.349
SAD-SAT-581007d4-1
0.349
MAT-POS-2db6411e-2
0.349
MAK-UNK-7c9d1431-20
0.349
MAK-UNK-af83ef51-19
0.348
MAK-UNK-849bee6c-9
0.347
MAK-UNK-10dfa458-38
0.347
MAK-UNK-af83ef51-22
0.346
DRR-IMP-38dce17f-1
0.345
TAM-UNI-d1c3dd9f-18
0.344
MAK-UNK-849bee6c-4
0.343
SEL-UNI-cd366922-8
0.343
MAK-UNK-849bee6c-8
0.343
MAK-UNK-849bee6c-18
0.343
MAK-UNK-af83ef51-21
0.342
SAD-SAT-581007d4-3
0.341
MED-COV-4280ac29-33
0.341
MED-COV-4280ac29-24
0.340
MAK-UNK-176ca439-2
0.340
MAK-UNK-849bee6c-3
0.340
MAR-LAB-ca4662a6-2
0.337
DRR-IMP-38dce17f-4
0.337
AHN-SAT-de2502ba-15
0.337
SEL-UNI-cd366922-6
0.337
TAM-UNI-d1c3dd9f-16
0.337
TAM-UNI-d1c3dd9f-19
0.337
MAK-UNK-e4a48a85-17
0.336
DAV-CRI-d1e0885a-4
0.333
MIH-UNI-e573136b-7
0.333
MAK-UNK-176ca439-7
0.333
MAK-UNK-849bee6c-24
0.333
STE-UNK-13e151dd-1
0.333
MAK-UNK-849bee6c-20
0.330
MAK-UNK-af83ef51-20
0.330
MAK-UNK-10dfa458-19
0.330
MAK-UNK-849bee6c-12
0.330
MAK-UNK-849bee6c-16
0.330
DAR-DIA-fb20be43-1
0.330
SAD-SAT-65574d3f-10
0.330
SAD-SAT-5b1897b2-2
0.330
MAK-UNK-10dfa458-44
0.327
MAK-UNK-849bee6c-13
0.327
MAK-UNK-849bee6c-2
0.327
MAK-UNK-849bee6c-17
0.327
MAK-UNK-849bee6c-5
0.327
BEN-DND-6de5dfa0-16
0.326
HYO-UNK-50298ba0-1
0.326
NIR-THE-b7e8e081-2
0.326
DRR-IMP-38dce17f-5
0.326
SAD-SAT-bc31ec01-1
0.326