Molecular Properties | |
SMILES: | CC[C@H](c1cccc(Cl)c1)[C@H](O)N(C)C |
MW: | 227.11 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 23.47 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
AAR-POS-0daf6b7e-29
JOH-IMS-1436231f-5
0.465
JOH-IMS-7e73aedd-2
0.429
JOH-IMS-4b4cc7e6-4
0.400
AAR-POS-0daf6b7e-10
0.375
JOH-ILL-b8b12274-2
0.364
DAV-CRI-3edb475e-5
0.361
JOH-IMS-1436231f-1
0.344
JAN-GHE-83b26c96-1
0.333
DAV-CRI-3edb475e-4
0.328
JAN-GHE-83b26c96-10
0.324
WIL-LEE-1f71e281-7
0.312
JAN-GHE-83b26c96-8
0.311
MED-COV-4280ac29-6
0.302
MAK-UNK-f203cb68-3
0.299
WIL-LEE-1f71e281-3
0.299
JOK-SYG-a0b0bf84-1
0.299
EDG-MED-0da5ad92-5
0.296
AAR-RCN-78cf61f7-1
0.294
TRY-UNI-714a760b-15
0.292
DAV-CRI-25b90884-3
0.284
MAR-TRE-8190bb11-59
0.284
BAR-COM-ebf5acce-3
0.282
JAN-GHE-83b26c96-5
0.282
TRY-UNI-714a760b-18
0.282
TRY-UNI-2eddb1ff-5
0.282
JAN-GHE-83b26c96-4
0.282
TRY-UNI-2eddb1ff-4
0.282
WIL-LEE-1f71e281-4
0.279
MED-COV-4280ac29-7
0.278
JAN-GHE-83b26c96-9
0.278
JOH-UNI-ee5ed7c8-7
0.277
JOH-UNI-3fc3434e-7
0.277
PET-UNK-f92d7c0c-3
0.275
JOH-ILL-b8b12274-1
0.275
MED-COV-4280ac29-36
0.275
GIA-UNK-7337c2f3-2
0.271
DAR-DIA-3e9bbd81-12
0.271
GIA-UNK-c4371e97-3
0.270
DAV-CRI-25b90884-1
0.270
MAR-TRE-66ac689e-92
0.270
MAT-POS-6da3605a-2
0.269
JAG-UCB-cedd89ab-2
0.269
JAN-GHE-f4ca5a00-20
0.268
MED-COV-4280ac29-18
0.268
EDG-MED-0da5ad92-1
0.268
JAN-GHE-83b26c96-15
0.268
SAM-UNK-2684b532-7
0.268
BRU-CON-67e07230-1
0.267
MAT-POS-1e5f28a7-1
0.267
PET-UNK-f92d7c0c-7
0.264
JAN-GHE-83b26c96-16
0.264
MAK-UNK-10799360-36
0.264
DAV-CRI-25b90884-2
0.263
JOH-UNI-0e1753c1-1
0.261
SEA-TRI-2c7f3de8-1
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MIC-UNK-67d4a29a-1
0.260
ADA-UNI-f8e79267-11
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SAM-UNK-2684b532-1
0.260
MAK-UNK-f203cb68-19
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JOH-UNI-23d9e1b1-1
0.258
JAN-GHE-83b26c96-6
0.257
JAN-GHE-83b26c96-7
0.257
VLA-UCB-05e51b3f-2
0.256
NAU-LAT-a5c7d7cb-3
0.256
TRY-UNI-9f475305-8
0.256
ALP-POS-75715966-4
0.256
JAN-GHE-5a013bed-5
0.254
JAN-GHE-83b26c96-2
0.253
MIC-UNK-67d4a29a-3
0.253
JOH-UNI-50ce7ec3-6
0.253
ADA-UNI-f8e79267-10
0.253
DAV-CRI-25b90884-4
0.253
JOH-UNI-50ce7ec3-5
0.253
JAN-GHE-f4ca5a00-19
0.253
MAT-POS-6c284e65-1
0.253
SEA-TRI-8222e606-1
0.250
PAU-WEI-b9b69149-3
0.250
TRY-UNI-714a760b-3
0.250
MAK-UNK-f203cb68-2
0.250
SAM-UNK-2684b532-5
0.250
SAM-UNK-2684b532-6
0.250
ALP-POS-75715966-2
0.250
JOH-IMS-1436231f-6
0.250
MIC-UNK-67d4a29a-2
0.250
AAR-POS-0daf6b7e-29
0.250
JAN-GHE-f4ca5a00-18
0.250
MIC-UNK-5a93dd5f-8
0.247
BAR-COM-0f94fc3d-56
0.247
MAK-UNK-f203cb68-1
0.247
JOH-UNI-3fc3434e-5
0.247
JOH-UNI-ee5ed7c8-5
0.247
BAR-COM-ebf5acce-15
0.247
MIC-UNK-67d4a29a-4
0.247
MAK-UNK-ec98eaf6-1
0.247
PAU-WEI-3e86dfd8-2
0.247
EDJ-MED-49816e9b-2
0.246
PET-UNK-158bee2a-3
0.246
PET-UNK-8df914d1-4
0.246
EDG-MED-0da5ad92-16
0.246
MED-COV-4280ac29-15
0.246