Molecular Properties | |
SMILES: | O=C(CN1C(=O)CSc2ccccc21)Nc1cccnc1 |
MW: | 299.07 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.3 |
cLogP: | 2.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z88237205 |
MAR-TRE-3e4e6814-80
0.580
MAR-TRE-2fd8122f-54
0.564
MAR-TRE-2fd8122f-91
0.531
KEI-TRE-d5e2018a-37
0.531
MAR-TRE-4b834d9a-45
0.531
MAR-TRE-2fd8122f-49
0.459
KEI-TRE-d5e2018a-6
0.449
MAR-TRE-7f7bb9f0-84
0.449
MAR-TRE-2fd8122f-9
0.449
MAR-TRE-4b834d9a-31
0.439
MAR-TRE-b77b7921-91
0.439
MAR-TRE-b77b7921-52
0.409
MAR-TRE-f6f5f473-46
0.409
MAR-TRE-67513f76-81
0.403
MAR-TRE-4b834d9a-49
0.402
MAR-TRE-2fd8122f-63
0.398
MAR-TRE-4b834d9a-96
0.398
JOH-IMS-62aeb97d-5
0.391
MAK-UNK-ca11b4f7-1
0.391
KEI-TRE-d5e2018a-74
0.391
MAR-TRE-67513f76-73
0.390
KEI-TRE-d5e2018a-45
0.379
ALE-HEI-f28a35b5-14
0.378
MAR-TRE-2fd8122f-78
0.378
NAU-LAT-64f4b287-10
0.376
SAN-PRS-52b81272-2
0.373
TAM-UNI-c140e31a-7
0.372
MAR-TRE-9c797165-21
0.371
KEI-TRE-d5e2018a-85
0.367
TAM-UNI-c140e31a-13
0.366
KEI-TRE-d5e2018a-67
0.366
MAR-TRE-7f7bb9f0-72
0.366
MAR-TRE-3e4e6814-65
0.363
DAR-DIA-842b4336-11
0.362
ALE-HEI-f28a35b5-5
0.362
CHR-SOS-70e4c98a-6
0.361
MAR-TRE-74c6519b-55
0.360
MAR-TRE-9c797165-60
0.360
MAR-TRE-d0525fbf-64
0.360
MAR-TRE-2fd8122f-68
0.360
AUS-ARG-7cfdce8f-11
0.359
MAR-TRE-3e4e6814-66
0.359
TAM-UNI-c140e31a-12
0.358
MAR-TRE-7f7bb9f0-53
0.358
MAR-TRE-74c6519b-54
0.356
MAR-TRE-c317dd82-59
0.356
MAR-TRE-67513f76-55
0.356
DAR-DIA-842b4336-10
0.354
TAM-UNI-c140e31a-14
0.354
CHR-SOS-70e4c98a-8
0.353
BEN-DND-362d364a-11
0.351
MAR-TRE-4b834d9a-63
0.351
KEI-TRE-d5e2018a-26
0.351
SAD-SAT-24589cd1-4
0.351
MAR-TRE-9c797165-22
0.351
DUN-NEW-f8ce3686-8
0.351
MAR-TRE-7f7bb9f0-28
0.350
FRA-FAC-9ed5a63a-1
0.350
AAR-POS-d2a4d1df-13
0.350
ALE-HEI-f28a35b5-9
0.350
MAK-UNK-a7b37c5e-1
0.350
MED-UNK-e6e8ef8a-4
0.349
CHR-SOS-59746812-1
0.349
MAR-TRE-3e4e6814-61
0.348
THO-SYG-f9b2970d-2
0.348
TAM-UNI-c140e31a-1
0.347
MAK-UNK-a7b37c5e-4
0.346
DAR-DIA-842b4336-12
0.346
MED-UNK-e6e8ef8a-6
0.346
EDG-MED-0da5ad92-2
0.346
MED-UNK-e6e8ef8a-5
0.346
DAR-DIA-842b4336-13
0.346
MAR-TRE-2fd8122f-99
0.345
CHR-SOS-70e4c98a-3
0.345
CHR-SOS-59746812-5
0.345
MAR-TRE-2fd8122f-72
0.344
MAR-TRE-04c86cea-40
0.343
MAK-UNK-a7b37c5e-5
0.342
FRA-FAC-9ed5a63a-2
0.341
MAK-UNK-a7b37c5e-2
0.341
MED-UNK-e6e8ef8a-2
0.341
MED-UNK-e6e8ef8a-3
0.341
CHR-SOS-59746812-2
0.341
CHR-SOS-f7373dd1-4
0.341
ANN-UNI-26382800-5
0.341
MAR-TRE-74c6519b-42
0.341
MAR-TRE-b77b7921-53
0.341
KEI-TRE-d5e2018a-77
0.341
MAR-TRE-3e4e6814-27
0.340
BEN-DND-362d364a-10
0.340
MAR-TRE-7f7bb9f0-76
0.340
TAM-UNI-c140e31a-6
0.340
KEI-TRE-d5e2018a-60
0.340
MAK-UNK-ca11b4f7-2
0.338
CHR-SOS-f7373dd1-5
0.337
CHR-SOS-59746812-6
0.337
CHR-SOS-f7373dd1-6
0.337
CHR-SOS-70e4c98a-1
0.337
MAR-TRE-9c797165-8
0.337
MAR-TRE-2fd8122f-32
0.337