Molecular Properties | |
SMILES: | O=C(NCCN1CCCCC1)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1 |
MW: | 423.988 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 45.23 |
cLogP: | 4.6097 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-17
0.844
DAR-DIA-43a5904b-16
0.815
DAR-DIA-43a5904b-13
0.730
DAR-DIA-43a5904b-14
0.717
DAR-DIA-43a5904b-12
0.691
DAR-DIA-43a5904b-1
0.604
DAR-DIA-43a5904b-3
0.465
DAR-DIA-43a5904b-2
0.446
DAR-DIA-43a5904b-4
0.433
DAR-DIA-43a5904b-11
0.427
DAR-DIA-43a5904b-7
0.414
DAR-DIA-43a5904b-9
0.412
DAR-DIA-43a5904b-5
0.394
DAR-DIA-43a5904b-8
0.394
DAR-DIA-43a5904b-6
0.394
JOR-UNI-2fc98d0b-17
0.348
DAR-DIA-43a5904b-10
0.347
JOR-UNI-2fc98d0b-16
0.342
DAV-CRI-1c77f7a9-4
0.328
ERI-UCB-ce40166b-24
0.313
DAR-DIA-076fb6ea-14
0.309
STE-KUL-2e0d2e88-3
0.305
NIM-UNI-b87c0f72-2
0.299
NIM-UNI-b87c0f72-1
0.299
DAR-DIA-bd041b9b-20
0.292
JOR-UNI-2fc98d0b-11
0.291
JOR-UNI-2fc98d0b-9
0.290
ADA-UNI-f8e79267-11
0.288
DAR-DIA-076fb6ea-12
0.287
DAR-DIA-bd041b9b-29
0.283
DRR-IMP-38dce17f-4
0.283
LON-WEI-adc59df6-22
0.282
ALP-POS-88a7a97e-11
0.281
DAR-DIA-bd041b9b-19
0.281
ERI-UCB-ce40166b-22
0.281
PET-UNK-4dc48bbe-7
0.280
JOR-UNI-2fc98d0b-5
0.280
MAR-TRE-4b834d9a-26
0.277
PET-UNK-7a31b064-5
0.277
JOR-UNI-2fc98d0b-10
0.275
JOR-UNI-2fc98d0b-13
0.275
JOR-UNI-2fc98d0b-6
0.275
EDG-MED-0da5ad92-2
0.275
PET-UNK-4dc48bbe-1
0.273
UNK-UNK-2ede4078-35
0.273
SAD-SAT-7d5528d9-7
0.271
JOR-UNI-61e7b1d5-30
0.270
JOR-UNI-2fc98d0b-15
0.270
VLA-UCB-1dbca3b4-4
0.270
JOR-UNI-2fc98d0b-1
0.269
JOR-UNI-2fc98d0b-4
0.269
JOR-UNI-2fc98d0b-3
0.269
MAR-TRE-fd17a9b8-92
0.268
JAN-GHE-83b26c96-18
0.267
MAK-UNK-8fdbca50-31
0.266
PET-UNK-ac320b15-3
0.266
PET-UNK-ac320b15-4
0.266
MAT-POS-90fd5f68-32
0.266
ADA-UNI-f8e79267-8
0.265
MAR-TRE-d0525fbf-84
0.264
MAR-TRE-fd17a9b8-44
0.264
JOR-UNI-2fc98d0b-14
0.264
JAN-GHE-f4ca5a00-17
0.264
MAT-POS-90fd5f68-14
0.264
EDJ-MED-6e43a462-11
0.263
MAR-TRE-b77b7921-33
0.263
MAT-POS-b5746674-82
0.262
PET-UNK-7a31b064-6
0.261
JOR-UNI-2fc98d0b-12
0.261
SAD-SAT-135344c3-8
0.261
MAT-POS-90fd5f68-16
0.260
MAT-POS-90fd5f68-34
0.260
SAM-UNK-2684b532-14
0.259
DAR-DIA-48c639f7-13
0.259
MAK-UNK-009ebe36-7
0.258
MIC-UNK-5ce21166-1
0.257
JAN-GHE-83b26c96-16
0.257
MIC-UNK-df342a3f-1
0.256
ALP-POS-95b75b4d-6
0.255
BEN-DND-61647d40-18
0.255
PET-UNK-8df914d1-5
0.255
ADA-UNI-f8e79267-12
0.254
MAR-TRE-b77b7921-73
0.254
JOR-UNI-61e7b1d5-31
0.254
JAN-GHE-f4ca5a00-14
0.252
DUN-NEW-d8381160-1
0.252
NIM-UNI-13494739-5
0.252
DAN-LON-a5fc619e-6
0.252
ANT-DIA-045cfdc4-5
0.252
MAR-TRE-c8530538-17
0.252
ADA-UNI-f8e79267-9
0.252
SAD-SAT-7d5528d9-6
0.252
SAD-SAT-135344c3-9
0.252
MAK-UNK-10799360-24
0.252
MAK-UNK-8fdbca50-27
0.252
MIC-UNK-8686cf1d-8
0.250
ALP-POS-02c6a514-55
0.250
MAT-POS-24589f88-14
0.250
CHA-MCP-85291e1d-7
0.250
NAU-LAT-64f4b287-9
0.250