Molecular Properties | |
SMILES: | CC(CNCCCO)OCCN(C(=O)C1CCSc2ccc(Cl)cc21)c1cccnc1 |
MW: | 463.17 |
Fraction sp3: | 0.48 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 74.69 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-1
0.734
MAK-UNK-d508046f-17
0.729
MAK-UNK-d508046f-5
0.708
MAK-UNK-d508046f-7
0.683
MAK-UNK-d508046f-4
0.679
MAK-UNK-d508046f-15
0.660
MAK-UNK-d508046f-16
0.660
MAK-UNK-d508046f-6
0.657
MAK-UNK-d508046f-20
0.640
MAK-UNK-d508046f-18
0.632
MAK-UNK-d508046f-11
0.624
MAK-UNK-d508046f-14
0.598
MAK-UNK-d508046f-8
0.596
MAK-UNK-d508046f-13
0.593
MAK-UNK-d508046f-9
0.591
MAK-UNK-d508046f-19
0.587
MAK-UNK-d508046f-3
0.573
MAK-UNK-d508046f-12
0.571
MAK-UNK-d508046f-10
0.547
MAT-POS-78e1d523-1
0.320
JAN-GHE-83b26c96-16
0.283
MAK-UNK-8fdbca50-30
0.276
SEA-TRI-8ad086cf-1
0.270
JOR-UNI-2fc98d0b-16
0.266
THO-SYG-f9b2970d-8
0.266
KEI-TRE-d5e2018a-76
0.264
JOR-UNI-2fc98d0b-12
0.264
THO-SYG-f9b2970d-3
0.260
JOR-UNI-2fc98d0b-8
0.258
JOR-UNI-2fc98d0b-14
0.258
THO-SYG-f9b2970d-4
0.254
ADA-UNI-f8e79267-10
0.254
JOR-UNI-2fc98d0b-17
0.252
JOR-UNI-2fc98d0b-3
0.252
MAK-UNK-8fdbca50-16
0.250
DAR-DIA-6a508060-14
0.250
ADA-UNI-f8e79267-8
0.248
JOH-IMS-d6628593-5
0.248
ADA-UNI-f8e79267-11
0.248
MAK-UNK-8fdbca50-27
0.247
MAK-UNK-8fdbca50-28
0.247
MIC-UNK-8686cf1d-3
0.247
ADA-UNI-f8e79267-7
0.246
KEI-TRE-d5e2018a-31
0.245
JOR-UNI-2fc98d0b-15
0.244
THO-SYG-f9b2970d-7
0.244
MAK-UNK-8fdbca50-31
0.243
DAR-DIA-6a508060-16
0.242
RAL-THA-9041a04d-4
0.242
MAT-POS-a54ce14d-1
0.242
JOR-UNI-2fc98d0b-4
0.242
JOR-UNI-2fc98d0b-5
0.242
KEI-TRE-d5e2018a-16
0.242
SIM-SYN-a98e6a07-2
0.242
JOH-IMS-d6628593-4
0.241
MAK-UNK-ffc90da7-6
0.241
KEI-TRE-d5e2018a-39
0.241
MAK-UNK-8fdbca50-13
0.240
MAK-UNK-c749d764-6
0.239
MAK-UNK-ffc90da7-1
0.239
MAK-UNK-8fdbca50-1
0.239
JOR-UNI-2fc98d0b-13
0.238
MAT-POS-136e7878-1
0.238
MIC-UNK-8686cf1d-4
0.238
DAR-DIA-bd041b9b-14
0.238
KEI-TRE-d5e2018a-19
0.238
JOR-UNI-2fc98d0b-2
0.238
SIM-SYN-a98e6a07-3
0.237
THO-SYG-f9b2970d-6
0.237
TRY-UNI-9f475305-8
0.236
ADA-UCB-6c2cb422-2
0.236
VLA-UNK-5c5a631c-2
0.236
MAK-UNK-8fdbca50-14
0.235
MAK-UNK-8fdbca50-26
0.235
MAR-TRE-4b834d9a-79
0.235
DAR-DIA-bd041b9b-13
0.234
DAR-DIA-bd041b9b-30
0.234
KEI-TRE-d5e2018a-47
0.234
JOH-UNI-21fd6073-3
0.234
JAN-GHE-76def03c-1
0.234
MIC-SGC-657978c3-5
0.233
JOH-UNI-ededfdb6-7
0.233
JOR-UNI-2fc98d0b-1
0.233
RAL-THA-3d7a794f-2
0.233
JOR-UNI-2fc98d0b-11
0.233
RAL-THA-3d7a794f-3
0.233
DAR-DIA-b4e9dd8d-5
0.232
DAR-DIA-b4e9dd8d-2
0.232
DAR-DIA-b4e9dd8d-4
0.232
IND-SYN-6c8299e8-10
0.232
EDG-MED-0da5ad92-7
0.232
MAT-POS-53907a1c-2
0.232
JUL-TUD-06b2044f-90
0.232
ALP-POS-8b8a49e1-3
0.231
RYA-UNI-f4a878f6-1
0.231
DAR-DIA-bd041b9b-11
0.231
DAR-DIA-5ff57136-13
0.230
THO-SYG-f9b2970d-1
0.230
DAR-DIA-43a5904b-14
0.230
MAR-TRE-b77b7921-80
0.230