Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)N(CC2CCCCC2)CCN1c1cccnc1 |
MW: | 383.18 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 36.44 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-ce40166b-24
0.628
PET-UNK-4dc48bbe-1
0.387
PET-UNK-4dc48bbe-7
0.385
VLA-UCB-1dbca3b4-12
0.369
PET-UNK-7a31b064-6
0.367
DAR-DIA-fc970077-7
0.352
PET-UNK-7a31b064-5
0.347
JAN-GHE-83b26c96-18
0.341
DAR-DIA-fc970077-8
0.337
EDJ-MED-e66f2cc5-2
0.337
JOR-UNI-2fc98d0b-12
0.324
MAR-TRE-9c797165-66
0.323
PET-UNK-4dc48bbe-2
0.316
DAR-DIA-fc970077-12
0.312
BEN-DND-d1eb1f41-7
0.311
MAT-POS-24589f88-14
0.311
MIC-UNK-df342a3f-1
0.306
PET-UNK-4dc48bbe-3
0.303
MIC-UNK-50cce87d-10
0.299
DAR-DIA-fc970077-11
0.298
EDJ-MED-e66f2cc5-1
0.297
PET-UNK-94460c07-6
0.294
DAR-DIA-fc970077-10
0.292
PET-UNK-4dc48bbe-5
0.292
DAR-DIA-fc970077-1
0.287
MAR-TRE-9c797165-7
0.287
DAR-DIA-43a5904b-1
0.286
EMI-TUK-6c6b371f-1
0.286
EMI-TUK-b780fc43-1
0.286
PET-UNK-4dc48bbe-9
0.284
MIC-UNK-50cce87d-6
0.283
PET-UNK-94460c07-5
0.283
WAR-XCH-b72a1bbc-25
0.282
PET-UNK-eda34f30-1
0.282
DAR-DIA-43a5904b-15
0.281
MIC-UNK-50cce87d-9
0.279
PET-UNK-fcd64629-1
0.279
DAR-DIA-5d6f1b43-22
0.278
DAR-DIA-fc970077-6
0.278
JOR-UNI-2fc98d0b-16
0.278
EDJ-MED-49816e9b-6
0.277
PET-UNK-c9c1e0d8-3
0.275
JOR-UNI-2fc98d0b-17
0.273
EDJ-MED-49816e9b-4
0.272
JAN-GHE-d851b096-5
0.272
DAR-DIA-fc970077-4
0.271
JOR-UNI-2fc98d0b-8
0.269
DAR-DIA-fc970077-5
0.269
MAR-TRE-74c6519b-18
0.269
DAR-DIA-43a5904b-16
0.268
MAT-POS-136e7878-1
0.268
PET-UNK-7a31b064-4
0.266
MIC-UNK-50cce87d-11
0.265
PET-UNK-7b413b46-3
0.265
PET-UNK-7b413b46-7
0.265
MAR-TRE-c8530538-20
0.264
RAI-NOV-c18e0037-3
0.264
MIC-UNK-50cce87d-5
0.264
PET-UNK-689df078-4
0.264
VLA-UCB-1dbca3b4-4
0.262
NIM-UNI-36e12f95-2
0.261
JOR-UNI-2fc98d0b-1
0.261
JOR-UNI-2fc98d0b-3
0.261
JAG-UCB-cedd89ab-1
0.260
JOR-UNI-61e7b1d5-20
0.259
NIM-UNI-b87c0f72-1
0.259
NIM-UNI-b87c0f72-2
0.259
MIC-UNK-50cce87d-12
0.259
SAN-PRS-52b81272-1
0.258
PET-UNK-c9c1e0d8-4
0.257
GIA-UNK-80c9bc96-1
0.257
SIM-SYN-a98e6a07-6
0.257
EDG-MED-5d232de5-8
0.257
EDG-MED-5d232de5-7
0.257
JOR-UNI-2fc98d0b-14
0.257
JOR-UNI-2fc98d0b-6
0.257
JOR-UNI-2fc98d0b-13
0.257
DAV-CRI-1c77f7a9-4
0.256
MIC-UNK-d854bf4c-3
0.256
AAR-POS-d2a4d1df-13
0.255
FRA-FAC-9ed5a63a-1
0.255
ALE-HEI-f28a35b5-9
0.255
NIM-UNI-0ea3b7bf-5
0.255
MIC-UNK-df342a3f-2
0.254
DAR-DIA-43a5904b-13
0.254
MIC-UNK-d854bf4c-7
0.254
ERI-UCB-d6de1f3c-5
0.254
DAR-DIA-43a5904b-5
0.252
DAR-DIA-43a5904b-6
0.252
DAR-DIA-43a5904b-8
0.252
RAI-NOV-c18e0037-6
0.252
SIM-SYN-a98e6a07-5
0.252
MAT-POS-ea426761-26
0.252
SAD-SAT-135344c3-8
0.252
DAR-DIA-5a24bef0-11
0.252
JOR-UNI-2fc98d0b-15
0.252
JOR-UNI-2fc98d0b-9
0.252
MAR-TRE-f6f5f473-96
0.252
RAL-THA-9041a04d-4
0.250
DAR-DIA-43a5904b-17
0.250