Molecular Properties | |
SMILES: | CC1CN(C(=O)CCl)CCN1CN1CCCOCC1 |
MW: | 289.807 |
Fraction sp3: | 0.92 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.02 |
cLogP: | 0.4377 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
Methylendiamines (1)
acyclic N-C-N
JOH-UNI-27ac80fd-7
0.783
JOH-UNI-27ac80fd-5
0.717
JOH-UNI-27ac80fd-10
0.672
JOH-UNI-27ac80fd-13
0.545
JOH-UNI-27ac80fd-4
0.540
JOH-UNI-27ac80fd-1
0.453
JOH-UNI-27ac80fd-6
0.437
JOH-UNI-27ac80fd-9
0.432
JOH-UNI-27ac80fd-11
0.427
JOH-UNI-27ac80fd-2
0.426
JOH-UNI-27ac80fd-3
0.406
JOH-UNI-27ac80fd-28
0.400
JOH-UNI-27ac80fd-14
0.384
JOH-UNI-27ac80fd-12
0.333
PAT-MCD-fb0933e5-1
0.329
MAK-UNK-9955b1f3-15
0.320
JOH-UNI-27ac80fd-35
0.317
MAK-UNK-f983951f-21
0.317
MED-COV-4280ac29-38
0.313
SAD-SAT-65574d3f-6
0.309
MAK-UNK-9955b1f3-2
0.309
SAD-SAT-c989feaa-4
0.305
MAK-UNK-9955b1f3-3
0.304
SAD-SAT-c989feaa-3
0.291
SAD-SAT-6b5a89f0-2
0.290
JOK-SYG-8934678c-1
0.289
MAK-UNK-95198336-3
0.286
MIH-UNI-e573136b-6
0.286
MAK-UNK-6c8f5f75-2
0.286
JOH-UNI-27ac80fd-19
0.286
JOH-UNI-0e1753c1-5
0.284
DAN-LON-a5fc619e-3
0.284
STU-CHA-0be58c98-1
0.281
SAD-SAT-c989feaa-8
0.281
MAR-TRE-dab8f6ea-37
0.281
WAR-XCH-b0339bbe-18
0.279
SAD-SAT-c989feaa-1
0.278
DAN-LON-a5fc619e-1
0.277
JOO-IND-3132366c-1
0.277
SAD-SAT-c989feaa-9
0.277
SAD-SAT-c989feaa-5
0.273
MAK-UNK-4b073b5c-16
0.271
SAD-SAT-d8079f6f-4
0.270
MAK-UNK-4b073b5c-19
0.270
JOH-UNI-27ac80fd-20
0.267
SAL-INS-1c7a5a55-11
0.267
MAK-UNK-704ed37c-2
0.267
DAN-LON-a5fc619e-6
0.267
DAN-PUR-3907f623-1
0.267
SAD-SAT-c989feaa-2
0.266
SAD-SAT-edc8a235-7
0.265
DAN-LON-a5fc619e-7
0.264
TAM-UNI-d1c3dd9f-12
0.264
SAD-SAT-1b030f84-9
0.263
MAR-TRE-6a44bbf2-39
0.263
AAR-POS-d2a4d1df-33
0.263
MAK-UNK-7c9d1431-21
0.263
SAD-SAT-d8079f6f-5
0.262
SAD-SAT-d8079f6f-3
0.262
DAN-MCD-3ec20f87-1
0.261
DRR-IMP-11d47bff-1
0.260
MAK-UNK-750cfbcc-4
0.260
MAR-TRE-6a44bbf2-66
0.260
MAK-UNK-95198336-7
0.259
SAD-SAT-d8079f6f-6
0.258
AAR-POS-0daf6b7e-21
0.258
MAK-UNK-6ca90168-18
0.258
PAU-UNI-8cdd41c7-1
0.257
SAD-SAT-581007d4-2
0.256
MAK-UNK-704ed37c-10
0.254
JOH-UNI-27ac80fd-17
0.253
MAK-UNK-704ed37c-3
0.253
MAK-UNK-3f402c2b-20
0.253
NIM-UNI-310206f0-7
0.253
MED-COV-4280ac29-33
0.253
HYO-UNK-1819783d-1
0.253
MAK-UNK-9955b1f3-4
0.253
IND-SYN-6c8299e8-1
0.253
DAN-LON-a5fc619e-9
0.253
DAR-DIA-fb20be43-18
0.253
ORN-MSD-f9d8c68a-1
0.252
TOB-UNK-c2aba166-1
0.250
YOI-UNK-12211982-5
0.250
YOI-UNK-a533afbc-5
0.250
MAK-UNK-f983951f-27
0.250
MAK-UNK-10799360-19
0.250
PAU-WEI-c6d65c11-1
0.250
VIK-SYN-bf9c9ac8-1
0.246
MAK-UNK-704ed37c-13
0.246
YOI-UNK-15f562e8-4
0.246
DRR-IMP-38dce17f-4
0.244
SAD-SAT-5b1897b2-6
0.243
SAD-SAT-6b5a89f0-5
0.243
VIK-SYN-9a3d118a-1
0.243
SAD-SAT-6b5a89f0-4
0.243
SAD-SAT-d8079f6f-1
0.242
MAK-UNK-987948f6-5
0.242
DUN-NEW-f8ce3686-22
0.241
MAK-UNK-3f402c2b-28
0.241
DRR-IMP-38dce17f-6
0.240