Molecular Properties | |
SMILES: | CNc1ncccc1CCN[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1cccc(Cl)c1 |
MW: | 451.98 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 94.64 |
cLogP: | 1.7879 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
BEN-DND-362d364a-1
0.652
BEN-DND-362d364a-3
0.627
BEN-DND-362d364a-4
0.598
BEN-DND-362d364a-5
0.417
DRR-IMP-dff87f5e-8
0.337
MAT-POS-590ac91e-69
0.304
SAD-SAT-2ceae68f-1
0.294
STU-CHA-464c0256-1
0.291
SAL-INS-1ea6d4ee-4
0.289
RIT-AID-d1f3f5d2-1
0.281
SAD-SAT-c989feaa-3
0.280
MAK-UNK-10799360-6
0.274
DAN-MCD-0fb4364c-1
0.271
DAN-MCD-8aee1169-1
0.269
DAN-MCD-52f1549c-1
0.269
SAL-INS-1ea6d4ee-3
0.265
SAD-SAT-7d5528d9-50
0.263
DAN-MCD-3bfdcef2-1
0.263
BEN-VAN-77cef4f8-2
0.262
DAN-MCD-e5161b06-1
0.261
DAN-MCD-a37c31cb-1
0.261
DAN-MCD-68a9aade-1
0.261
JAN-GHE-5a013bed-5
0.260
MAK-UNK-6435e6c2-5
0.260
JON-UIO-066ce08b-3
0.260
DAN-MCD-02570321-1
0.260
JON-UNI-bb9dc649-4
0.260
DAN-MCD-0742953f-1
0.260
DAN-MCD-9950a804-1
0.258
DAN-MCD-1a622181-1
0.258
ABB-MCD-f549d731-1
0.258
MAK-UNK-6ca90168-15
0.258
SAD-SAT-b55127ae-1
0.257
ANT-OPE-7824651a-2
0.257
MAC-MCD-76766525-1
0.257
DAN-LON-a5fc619e-1
0.257
JAN-GHE-5a013bed-4
0.255
EDG-MED-0da5ad92-14
0.252
MAK-UNK-3f402c2b-2
0.252
JOH-UNI-0e1753c1-5
0.252
SAD-SAT-b55127ae-8
0.252
DAN-LON-a5fc619e-3
0.252
DAN-MCD-0c04f563-1
0.252
DAN-MCD-9b81d1fa-1
0.252
DAN-MCD-b3a5626f-1
0.252
JOH-UNI-0e1753c1-4
0.250
MED-COV-4280ac29-38
0.250
MAR-TRE-6a44bbf2-65
0.250
MAK-UNK-7c9d1431-11
0.250
JOE-SYG-2c9a1216-1
0.250
TAT-ENA-80bfd3e5-43
0.250
DAN-MCD-34fd4f29-1
0.248
VLA-UCB-05e51b3f-3
0.248
MAT-POS-590ac91e-58
0.248
DAN-LON-a5fc619e-7
0.248
VLA-UNK-dc1d9354-1
0.248
MED-COV-4280ac29-11
0.248
DAN-MCD-c163c0bb-1
0.246
MAR-TRE-3159af1a-35
0.246
DAN-MCD-7eba3d41-1
0.246
BEN-VAN-77cef4f8-1
0.244
SAD-SAT-7d5528d9-5
0.243
SAD-SAT-c989feaa-10
0.243
NAU-LAT-e1818702-7
0.243
JAG-UCB-a3ef7265-17
0.243
BEN-VAN-77cef4f8-3
0.242
DAN-MCD-1c3944e2-1
0.242
BEN-VAN-d8fd1356-29
0.241
MAR-TRE-3159af1a-19
0.241
SAD-SAT-c989feaa-6
0.241
LON-WEI-120e5cf5-21
0.241
DAN-MCD-50d01569-1
0.240
JAG-UCB-4709a583-1
0.240
DAN-MCD-f396e45b-1
0.240
DAN-MCD-9cdc9f7f-1
0.240
NAU-LAT-a5c7d7cb-3
0.239
VLA-UCB-05e51b3f-2
0.239
MAR-TRE-c8530538-53
0.239
JAN-GHE-f4ca5a00-14
0.239
EDG-MED-0da5ad92-15
0.238
KIM-UNI-7d12df64-1
0.238
MAR-TRE-6a44bbf2-18
0.238
BEN-DND-03406596-10
0.238
JOH-UNI-23d9e1b1-1
0.238
LON-WEI-8f408cad-4
0.238
AAR-POS-d2a4d1df-23
0.238
SAD-SAT-135344c3-8
0.237
MAT-POS-90fd5f68-35
0.237
MAR-TRE-04c86cea-65
0.237
ABI-SAT-ad50dfa5-1
0.237
JIN-POS-6dc588a4-2
0.236
ROB-UNI-daaf9793-4
0.236
ALP-POS-8b8a49e1-8
0.236
MAT-POS-8fd29122-2
0.236
AHN-SAT-de2502ba-5
0.236
DAN-MCD-881986d8-1
0.235
ERI-UCB-d6de1f3c-2
0.235
BEN-VAN-77cef4f8-5
0.235
KEI-UNI-85a52787-3
0.235
PAU-WEI-b9b69149-3
0.235