Molecular Properties | |
SMILES: | CCCc1ccncc1NC(=O)[C@](C)(O)C(C)C |
MW: | 250.17 |
Fraction sp3: | 0.57 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 62.22 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
JOH-IMS-d6628593-3
0.736
JOH-IMS-d6628593-2
0.484
PET-SGC-c429dc17-1
0.367
CES-WAB-18e74d70-1
0.367
MAK-UNK-f2409524-27
0.354
JAG-UCB-a3ef7265-23
0.342
MAK-UNK-f2409524-1
0.333
MAK-UNK-f2409524-26
0.333
DAR-DIA-03336633-8
0.330
MAK-UNK-f203cb68-2
0.321
CHA-KIN-ceadbd93-3
0.320
DAR-DIA-03336633-9
0.318
DAR-DIA-03336633-11
0.318
WIL-UNI-5578df48-11
0.316
DAR-DIA-03336633-5
0.315
MAK-UNK-f2409524-2
0.314
MAK-UNK-f2409524-15
0.314
ERI-UCB-5b47150d-1
0.313
MAT-POS-590ac91e-1
0.313
MAT-POS-590ac91e-2
0.313
HAN-NEW-5f56c3bc-3
0.311
DAR-DIA-03336633-10
0.311
DAR-DIA-03336633-1
0.311
NAT-WAB-78d8bb1c-2
0.310
DAR-DIA-03336633-7
0.308
CHA-KIN-ceadbd93-2
0.307
DAR-DIA-03336633-6
0.305
MAK-UNK-f2409524-25
0.305
MAT-POS-590ac91e-5
0.301
THO-SYG-cc9e9a11-6
0.301
MAK-UNK-f2409524-24
0.300
MAT-POS-590ac91e-11
0.300
MAK-UNK-f2409524-21
0.300
CHA-KIN-ceadbd93-1
0.299
MAR-TRE-9c797165-9
0.297
MAK-UNK-f203cb68-4
0.297
MAT-POS-5d20d11c-1
0.296
MAT-POS-590ac91e-16
0.296
AAR-POS-d2a4d1df-3
0.295
MAK-UNK-6435e6c2-8
0.295
JAN-GHE-83b26c96-22
0.295
EDG-MED-0da5ad92-10
0.295
RIT-AID-b8bd8251-1
0.294
ANU-UNK-2781581f-2
0.294
EDJ-MED-c9f55a56-1
0.293
DAR-DIA-03336633-4
0.293
BAR-COM-0f94fc3d-38
0.293
MAK-UNK-6ca90168-27
0.292
CHA-KIN-ceadbd93-4
0.291
DAR-DIA-03336633-3
0.289
MAK-UNK-6ca90168-26
0.288
RUB-POS-1325a9ea-19
0.287
CHA-KIN-ceadbd93-5
0.287
MAK-UNK-7264f48c-2
0.287
SAD-SAT-cefd50cc-10
0.286
MAK-UNK-f2409524-32
0.284
SAD-SAT-7d5528d9-2
0.284
MAT-POS-590ac91e-9
0.284
MAT-POS-590ac91e-14
0.282
ALE-HEI-f28a35b5-12
0.282
MAT-POS-590ac91e-13
0.282
JOH-IMS-62aeb97d-5
0.281
BEN-DND-09b88bf4-8
0.280
SAD-SAT-689b7d5a-6
0.280
ALE-HEI-f28a35b5-3
0.280
MAK-UNK-f2409524-23
0.280
MAK-UNK-f203cb68-18
0.278
BEN-DND-93268d01-2
0.278
JIN-POS-6dc588a4-6
0.277
SAD-SAT-24589cd1-8
0.277
MAT-POS-590ac91e-24
0.276
ALE-HEI-f28a35b5-10
0.276
BAR-COM-0f94fc3d-45
0.276
ASH-SAT-43770c7d-9
0.275
BEN-DND-93268d01-7
0.275
MAR-TRE-74c6519b-57
0.275
TRY-UNI-714a760b-5
0.274
JAN-GHE-83b26c96-11
0.274
MAR-TRE-67513f76-49
0.274
TRY-UNI-1fd04853-2
0.274
THO-SYG-cc9e9a11-5
0.274
MAK-UNK-f2409524-36
0.274
MAT-POS-590ac91e-8
0.273
EDG-MED-0da5ad92-8
0.273
TRY-UNI-2eddb1ff-2
0.273
ALE-HEI-f28a35b5-11
0.273
MAT-POS-590ac91e-17
0.273
MAK-UNK-f203cb68-1
0.272
MAK-UNK-f2409524-31
0.272
MAT-POS-bb423b95-5
0.272
JAN-GHE-83b26c96-23
0.272
MAR-TRE-67513f76-68
0.272
JAN-GHE-83b26c96-8
0.271
MAT-POS-590ac91e-19
0.270
PET-SGC-6e7c5dc0-1
0.270
MAT-POS-590ac91e-6
0.270
MAK-UNK-f2409524-29
0.270
BAR-COM-0f94fc3d-60
0.270
JAN-GHE-83b26c96-13
0.269
ALP-POS-95b75b4d-2
0.269