Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)C1CC2CC1CN2C(=O)CCl |
MW: | 293.09 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.3 |
cLogP: | 1.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-5d2caa6f-20
0.677
MAK-UNK-5d2caa6f-16
0.642
MAK-UNK-90d0606b-10
0.630
MAK-UNK-3e0761f8-1
0.600
MAK-UNK-90d0606b-8
0.595
MAK-UNK-90d0606b-9
0.573
MAK-UNK-3e0761f8-5
0.573
MAK-UNK-5d2caa6f-19
0.568
MAK-UNK-3f402c2b-19
0.563
MAK-UNK-90d0606b-2
0.554
MAK-UNK-5d2caa6f-21
0.541
MAK-UNK-5d2caa6f-17
0.537
LON-WEI-120e5cf5-11
0.514
MAK-UNK-10799360-25
0.506
MAK-UNK-10799360-24
0.506
MAK-UNK-5d2caa6f-14
0.500
MAK-UNK-5d2caa6f-13
0.494
MAK-UNK-5d2caa6f-15
0.494
MAK-UNK-5d2caa6f-22
0.494
MAK-UNK-5d2caa6f-18
0.479
MAK-UNK-3e0761f8-3
0.455
MAK-UNK-3e0761f8-8
0.434
THO-SYG-f9b2970d-2
0.434
DAV-CRI-1c77f7a9-6
0.433
THO-SYG-f9b2970d-1
0.424
MAK-UNK-ca11b4f7-1
0.422
MAR-TRE-74c6519b-51
0.415
MAR-TRE-67513f76-20
0.412
MAK-UNK-ec98eaf6-5
0.412
MAK-UNK-3f402c2b-20
0.411
MAR-TRE-2fd8122f-44
0.410
MAR-TRE-2fd8122f-27
0.408
THO-SYG-f9b2970d-6
0.407
MAR-TRE-2fd8122f-50
0.400
MAK-UNK-3f402c2b-28
0.397
MAR-TRE-04c86cea-17
0.395
MAK-UNK-5d2caa6f-11
0.394
MAR-TRE-9c797165-80
0.390
MAR-TRE-f6f5f473-84
0.388
MED-UNK-e6e8ef8a-3
0.382
MAR-TRE-2fd8122f-13
0.381
THO-SYG-f9b2970d-5
0.379
JOH-IMS-62aeb97d-5
0.379
MAK-UNK-ec98eaf6-32
0.378
MAR-TRE-2fd8122f-12
0.376
MAR-TRE-04c86cea-35
0.375
MAR-TRE-f6f5f473-23
0.375
MAR-TRE-2fd8122f-48
0.374
JOH-IMS-62aeb97d-3
0.373
MAR-TRE-2fd8122f-28
0.372
MAK-UNK-ec98eaf6-20
0.372
MAR-TRE-04c86cea-46
0.372
MAR-TRE-2fd8122f-81
0.372
MAR-TRE-3e4e6814-54
0.371
MAR-TRE-4b834d9a-42
0.371
MAR-TRE-2fd8122f-6
0.371
MAR-TRE-2fd8122f-10
0.371
MAR-TRE-d0525fbf-90
0.370
MAR-TRE-67513f76-81
0.369
MAK-UNK-3f402c2b-18
0.367
FOC-CAS-e3a94da8-1
0.367
ALE-HEI-f28a35b5-14
0.366
FRA-FAC-9ed5a63a-2
0.364
MED-UNK-e6e8ef8a-2
0.364
MAR-TRE-2fd8122f-87
0.362
MAR-TRE-7f7bb9f0-74
0.359
MAR-TRE-2fd8122f-75
0.358
MAR-TRE-04c86cea-49
0.356
AAR-POS-d2a4d1df-13
0.355
ALE-HEI-f28a35b5-9
0.355
FRA-FAC-9ed5a63a-1
0.355
MAR-TRE-f6f5f473-78
0.354
MAR-TRE-2fd8122f-64
0.352
PEI-IMP-ca0b2813-1
0.351
MED-UNK-e6e8ef8a-5
0.351
DAR-DIA-842b4336-8
0.351
FRA-FAC-9ed5a63a-4
0.350
MAR-TRE-74c6519b-91
0.349
MAK-UNK-3e0761f8-6
0.348
ALE-HEI-f28a35b5-15
0.347
JOH-IMS-62aeb97d-4
0.347
JAN-GHE-4287bd1a-9
0.346
SAD-SAT-2fd372d1-7
0.346
MAR-TRE-9c797165-46
0.346
MAR-TRE-b77b7921-91
0.345
KEI-TRE-d5e2018a-15
0.345
MAR-TRE-7f7bb9f0-18
0.345
DAV-CRI-1c77f7a9-2
0.344
MAR-TRE-d0525fbf-54
0.344
MAK-UNK-ca11b4f7-2
0.343
MAK-UNK-ca11b4f7-3
0.343
SAN-PRS-52b81272-2
0.342
DAR-DIA-842b4336-10
0.342
MAR-TRE-04c86cea-86
0.341
MAK-UNK-ec98eaf6-43
0.341
SAD-SAT-135344c3-2
0.341
MAR-TRE-04c86cea-95
0.341
SAD-SAT-24589cd1-4
0.338
JOH-IMS-62aeb97d-1
0.338
MAK-UNK-a7b37c5e-1
0.338