Molecular Properties | |
SMILES: | CC(=O)N1CCN(CN2CCCOCC2)CC1 |
MW: | 241.335 |
Fraction sp3: | 0.92 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.02 |
cLogP: | -0.169699999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
Methylendiamines (1)
acyclic N-C-N
JOH-UNI-27ac80fd-2
0.680
JOH-UNI-27ac80fd-3
0.680
JOH-UNI-27ac80fd-4
0.680
JOH-UNI-27ac80fd-6
0.561
JOH-UNI-27ac80fd-5
0.552
JOH-UNI-27ac80fd-12
0.549
JOH-UNI-27ac80fd-9
0.476
JOH-UNI-27ac80fd-11
0.469
JOH-UNI-27ac80fd-8
0.453
JOH-UNI-27ac80fd-19
0.453
JOH-UNI-27ac80fd-7
0.446
JOH-UNI-27ac80fd-10
0.446
JOH-UNI-27ac80fd-14
0.443
MAK-UNK-9955b1f3-15
0.410
JOH-UNI-27ac80fd-20
0.390
MAK-UNK-9955b1f3-3
0.375
JOH-UNI-27ac80fd-13
0.369
MAK-UNK-9955b1f3-2
0.357
MAK-UNK-6435e6c2-2
0.317
JOH-UNI-27ac80fd-17
0.306
MAK-UNK-6435e6c2-3
0.300
MAK-UNK-9955b1f3-4
0.297
KIM-UNI-2ee5d8f9-1
0.286
JAN-GHE-1d98ec1c-2
0.282
JAN-GHE-fd8d85a5-12
0.277
AAR-POS-0daf6b7e-21
0.275
MAK-UNK-9955b1f3-16
0.270
WIL-LEE-23e8b574-2
0.269
WIL-LEE-23e8b574-4
0.269
PAT-UNK-b2d83456-3
0.268
ISA-SCH-8e98219b-3
0.268
NAU-LAT-3f5f3993-4
0.267
PAT-UNK-b2d83456-1
0.265
WIL-LEE-23e8b574-3
0.264
ISA-SCH-8e98219b-2
0.261
ORN-MSD-f9d8c68a-1
0.261
WIL-LEE-23e8b574-7
0.261
BEN-DND-6de5dfa0-23
0.261
BEN-DND-6de5dfa0-6
0.260
PAT-UNK-b2d83456-2
0.257
BEN-VAN-c986b20b-3
0.256
BEN-VAN-c986b20b-10
0.256
BEN-DND-6de5dfa0-24
0.254
BEN-DND-6de5dfa0-18
0.250
EDJ-MED-3c65e9ce-1
0.250
MAK-UNK-748f8b7a-11
0.250
BEN-DND-93268d01-8
0.250
ORN-MSD-5b974918-1
0.247
MAR-TRE-dab8f6ea-26
0.247
BEN-VAN-c986b20b-5
0.247
MAR-TRE-dab8f6ea-37
0.247
NAU-LAT-a5c7d7cb-1
0.247
VLA-UCB-05e51b3f-1
0.247
ALP-POS-6747fa38-1
0.247
NIR-THE-d08c3b48-1
0.247
BEN-DND-6de5dfa0-11
0.247
MAK-UNK-f983951f-21
0.245
MIH-UNI-6b9ca91a-9
0.244
BEN-DND-6de5dfa0-17
0.243
BEN-DND-6de5dfa0-27
0.243
JOH-UNK-14e6adc5-7
0.240
JAN-GHE-1d98ec1c-8
0.240
KIM-UNI-7d12df64-3
0.239
MIH-UNI-e573136b-6
0.238
JAN-GHE-1d98ec1c-6
0.237
BEN-VAN-d8fd1356-21
0.237
WIL-LEE-23e8b574-8
0.237
KIM-UNI-7d12df64-2
0.237
JAN-GHE-1d98ec1c-1
0.237
MAK-UNK-f983951f-6
0.236
BEN-DND-6de5dfa0-22
0.236
BEN-DND-6de5dfa0-26
0.236
MAR-TRE-dab8f6ea-41
0.235
JAN-GHE-fd8d85a5-6
0.235
HEI-REL-0c990a45-5
0.232
JOR-UNI-2fc98d0b-9
0.232
JAN-GHE-fd8d85a5-9
0.231
JAN-GHE-1d98ec1c-4
0.231
EDJ-MED-3c65e9ce-2
0.231
MAK-UNK-be3f299e-5
0.231
JAN-GHE-1d98ec1c-3
0.231
BEN-DND-6de5dfa0-19
0.230
BEN-DND-6de5dfa0-25
0.230
NIM-UNI-310206f0-7
0.230
KIM-UNI-7d12df64-1
0.230
JOH-UNI-abdb2f0c-3
0.230
JAN-GHE-fd8d85a5-10
0.230
TAM-UNI-d1c3dd9f-12
0.229
JAN-GHE-1d98ec1c-5
0.228
WIL-LEE-23e8b574-1
0.227
JON-UNI-2a110085-1
0.227
JAN-GHE-1d98ec1c-10
0.227
MAR-TRE-0fda4e82-37
0.225
BEN-VAN-c986b20b-17
0.225
BEN-VAN-c986b20b-2
0.225
BEN-VAN-c986b20b-16
0.225
MAR-TRE-dab8f6ea-20
0.225
JAN-GHE-fd8d85a5-1
0.224
BEN-VAN-c986b20b-1
0.222
BEN-VAN-c986b20b-15
0.222