Molecular Properties | |
SMILES: | CC(=O)NCC[C@H]1COc2c(NC(=O)Cc3cnccc3C)cc(Cl)cc21 |
MW: | 387.13 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 80.32 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea979c74-2
0.697
MIC-UNK-ea979c74-3
0.645
MIC-UNK-ea979c74-4
0.474
NAU-LAT-3f5f3993-9
0.440
NAU-LAT-3f5f3993-6
0.400
NAU-LAT-3f5f3993-7
0.400
NAU-LAT-3f5f3993-8
0.400
EDJ-MED-49816e9b-1
0.391
RAL-THA-6b94ceba-5
0.384
NAU-LAT-0543f7f2-1
0.368
NAU-LAT-30527ac5-5
0.360
NAU-LAT-0543f7f2-3
0.360
WIL-MOD-03b86a88-2
0.359
ADA-UCB-6c2cb422-3
0.356
WJF-WAB-5e8b96ca-1
0.352
BAR-COM-0f94fc3d-26
0.343
RAL-THA-6b94ceba-6
0.340
MAT-POS-500ca5bf-1
0.336
CHO-MSK-6e55470f-1
0.336
WIL-MOD-03b86a88-4
0.333
NAU-LAT-30527ac5-2
0.333
NAU-LAT-0543f7f2-8
0.330
NAT-WAB-78d8bb1c-1
0.327
PET-SGC-1c3a473d-1
0.325
RAL-THA-6b94ceba-8
0.324
TRY-UNI-714a760b-6
0.320
DAR-DIA-23e5a6a0-26
0.316
RAL-THA-6b94ceba-16
0.314
RAL-THA-6b94ceba-12
0.314
MAT-POS-c9973a83-1
0.314
MAT-POS-044491d2-2
0.312
TRY-UNI-bbd40bb4-2
0.312
CHO-MSK-6e55470f-2
0.312
NAU-LAT-0543f7f2-5
0.312
NAU-LAT-0543f7f2-7
0.311
CHO-MSK-6e55470f-8
0.311
CHO-MSK-6e55470f-9
0.311
MAK-UNK-6ca90168-26
0.310
EDG-MED-0da5ad92-8
0.309
TRY-UNI-2eddb1ff-2
0.309
CHO-MSK-6e55470f-5
0.307
MAT-POS-f42f3716-6
0.306
BAR-COM-0f94fc3d-28
0.306
MAT-POS-e501d84c-1
0.306
RAL-THA-6b94ceba-15
0.305
MAT-POS-f42f3716-5
0.304
DAR-DIA-23e5a6a0-27
0.304
TRY-UNI-2eddb1ff-7
0.304
WIL-MOD-03b86a88-1
0.304
DAR-DIA-23e5a6a0-29
0.304
WIL-MOD-03b86a88-3
0.302
CHO-MSK-6e55470f-7
0.302
NAU-LAT-0543f7f2-2
0.301
DAR-DIA-23e5a6a0-30
0.301
CHO-MSK-6e55470f-10
0.300
NAU-LAT-0543f7f2-4
0.299
DAR-DIA-23e5a6a0-21
0.299
WIL-MOD-03b86a88-6
0.299
MAT-POS-f42f3716-1
0.298
RAL-THA-6b94ceba-1
0.298
RAL-THA-6b94ceba-3
0.298
DAR-DIA-23e5a6a0-25
0.298
DAR-DIA-23e5a6a0-23
0.298
RAL-THA-6b94ceba-4
0.298
CHO-MSK-6e55470f-14
0.298
MAT-POS-044491d2-5
0.297
RAL-THA-6b94ceba-9
0.296
EDG-MED-0da5ad92-7
0.296
CHO-MSK-6e55470f-18
0.296
RAL-THA-6b94ceba-2
0.296
DAR-DIA-23e5a6a0-24
0.296
RAL-THA-6b94ceba-7
0.295
RAL-THA-6b94ceba-13
0.295
CHO-MSK-6e55470f-20
0.295
MAT-POS-044491d2-1
0.295
MAT-POS-044491d2-3
0.295
ALP-POS-f13221e1-4
0.294
RAL-THA-6b94ceba-11
0.294
DAR-DIA-23e5a6a0-19
0.291
MAT-POS-b3e365b9-4
0.291
DAR-DIA-6a508060-6
0.291
JAN-GHE-f4ca5a00-13
0.291
BRU-CON-c4e3408a-1
0.291
MAT-POS-b3e365b9-3
0.291
RAL-THA-6b94ceba-14
0.290
WIL-MOD-03b86a88-5
0.290
MAK-UNK-f203cb68-4
0.289
GAB-REV-70cc3ca5-21
0.289
RAL-THA-6b94ceba-10
0.288
RAL-THA-1d44ff04-3
0.288
ALP-POS-75715966-4
0.288
ENA-ENA-cf881d10-1
0.288
MAT-POS-044491d2-4
0.288
DAR-DIA-23e5a6a0-22
0.288
PET-SGC-276eba5a-1
0.288
CHO-MSK-6e55470f-3
0.287
EDJ-MED-c9f55a56-1
0.286
MAT-POS-590ac91e-10
0.286
ALP-POS-95b75b4d-4
0.286
GAB-REV-70cc3ca5-22
0.286