Molecular Properties | |
SMILES: | O=C1Nc2cc1ccc2C1(Cc2cccc(Cl)c2)CCOC1 |
MW: | 313.09 |
Fraction sp3: | 0.28 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 38.33 |
cLogP: | 3.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-10
0.783
SAD-SAT-7d5528d9-50
0.477
SAD-SAT-7d5528d9-23
0.452
SAD-SAT-7d5528d9-20
0.438
SAD-SAT-7d5528d9-5
0.400
SAD-SAT-7d5528d9-45
0.368
SAD-SAT-7d5528d9-11
0.367
SAD-SAT-7d5528d9-52
0.358
SAD-SAT-7d5528d9-17
0.341
SAD-SAT-7d5528d9-53
0.337
SAD-SAT-7d5528d9-12
0.309
DAR-DIA-b80f1cd7-6
0.309
SAD-SAT-7d5528d9-9
0.305
SAD-SAT-7d5528d9-40
0.305
SAD-SAT-7d5528d9-54
0.302
SAD-SAT-7d5528d9-4
0.300
SAD-SAT-7d5528d9-46
0.290
MAT-POS-0bc33984-2
0.284
JOH-UNI-6fede743-3
0.283
MAT-POS-bb423b95-6
0.283
JIN-POS-6dc588a4-19
0.283
AAR-POS-0daf6b7e-29
0.282
JOH-IMS-1436231f-6
0.282
DAR-DIA-b80f1cd7-11
0.282
JIN-POS-6dc588a4-2
0.280
DAR-DIA-b80f1cd7-3
0.277
SAD-SAT-7d5528d9-38
0.276
ROB-UNI-daaf9793-2
0.274
NAU-LAT-a5c7d7cb-14
0.274
PET-UNK-f92d7c0c-6
0.273
PET-UNK-f92d7c0c-1
0.273
SAD-SAT-7d5528d9-47
0.271
MIC-UNK-8373f97b-2
0.268
MAT-POS-f7918075-7
0.268
RUB-POS-1325a9ea-1
0.268
PET-UNK-f92d7c0c-5
0.267
PET-UNK-f92d7c0c-4
0.267
SAD-SAT-7d5528d9-36
0.267
ALP-POS-90e38439-1
0.266
RUB-POS-1325a9ea-23
0.266
VLA-UCB-1dbca3b4-1
0.266
NAU-LAT-a5c7d7cb-13
0.266
MIC-UNK-fc94cdb5-1
0.264
PET-UNK-158bee2a-1
0.264
VLA-UNK-4cf5aa07-1
0.264
DAR-DIA-b80f1cd7-7
0.263
SAD-SAT-7d5528d9-49
0.263
DAR-DIA-b80f1cd7-13
0.261
DAR-DIA-b80f1cd7-8
0.261
RUB-POS-1325a9ea-11
0.260
MIC-UNK-d935700b-1
0.258
JIN-POS-6dc588a4-5
0.258
JIN-POS-6dc588a4-23
0.258
PET-UNK-f92d7c0c-3
0.256
VLA-UCB-00f2c2b3-7
0.255
JAN-GHE-5a013bed-11
0.253
MIC-UNK-42806bd5-1
0.253
MAT-POS-500ca5bf-2
0.253
ALP-POS-90e38439-2
0.253
MAT-POS-4211dce8-1
0.253
RUB-POS-1325a9ea-17
0.253
BAR-COM-ebf5acce-11
0.252
DAR-DIA-b80f1cd7-5
0.252
ALP-POS-8b8a49e1-5
0.250
MIC-UNK-42806bd5-2
0.250
JAG-UCB-ef2c0e8e-5
0.250
ROB-UNI-daaf9793-1
0.250
ALP-POS-90e38439-3
0.250
MAT-POS-e1b5ac6b-1
0.250
JIN-POS-6dc588a4-13
0.250
JIN-POS-6dc588a4-24
0.247
EDJ-MED-c8e7a002-10
0.247
ALP-POS-f13221e1-3
0.247
RUB-POS-1325a9ea-18
0.247
MIC-UNK-d935700b-2
0.247
JOH-UNI-6fede743-1
0.247
VLA-UNK-4cf5aa07-2
0.247
ALP-POS-91609ae9-1
0.247
AAR-RCN-28a8122f-1
0.247
JAN-GHE-5a013bed-4
0.247
EDG-MED-0da5ad92-21
0.247
JOH-UNI-0e1753c1-3
0.247
JOH-UNI-0e1753c1-2
0.247
HYO-UNK-49a60884-1
0.247
AAR-POS-d2a4d1df-35
0.247
MED-COV-4280ac29-15
0.247
DAR-DIA-b80f1cd7-9
0.246
EDJ-MED-a364e151-2
0.245
MIC-UNK-08cd9c58-1
0.245
MAT-POS-f7918075-3
0.245
MIC-UNK-b12b7f76-2
0.245
JOH-UNI-0e1753c1-1
0.244
EDG-MED-0da5ad92-14
0.244
DAR-DIA-b80f1cd7-4
0.243
KRI-MAR-d2e3ef86-9
0.242
ADA-UCB-6c2cb422-1
0.242
NAU-LAT-a5c7d7cb-10
0.242
EDJ-MED-c8e7a002-11
0.242
RUB-POS-1325a9ea-24
0.242
SAD-SAT-7d5528d9-21
0.242