Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1CC1CC2CC1CN2C(=O)CCl |
MW: | 332.14 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 69.02 |
cLogP: | 2.4 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
NIR-THE-0d6461ce-6
0.568
MAK-UNK-ec98eaf6-22
0.548
BRU-LEF-ae0885ba-1
0.482
DAR-DIA-fb20be43-4
0.482
PAU-UNI-52c0427f-1
0.482
MAK-UNK-ec98eaf6-38
0.446
MAK-UNK-ec98eaf6-33
0.438
JAN-GHE-fd8d85a5-1
0.417
MAK-UNK-3e0761f8-6
0.415
JAN-GHE-fd8d85a5-5
0.414
MAK-UNK-ec98eaf6-23
0.404
NIR-THE-0d6461ce-7
0.396
PET-SGC-39d74636-2
0.388
JAN-UNI-2e92c4b1-3
0.388
MAK-UNK-ec98eaf6-15
0.387
BEN-DND-362d364a-6
0.378
PET-SGC-90aed325-1
0.378
JAN-GHE-fd8d85a5-4
0.378
MAK-UNK-ec98eaf6-21
0.375
PET-SGC-9a4d8c0f-1
0.375
THO-SYG-98fc3427-4
0.371
JAN-GHE-fd8d85a5-6
0.370
MAK-UNK-ec98eaf6-43
0.368
MAK-UNK-ec98eaf6-35
0.361
JAN-UNI-2e92c4b1-4
0.360
MAK-UNK-516d8086-20
0.354
PET-SGC-f147f0b6-1
0.353
THO-SYG-98fc3427-5
0.352
DAR-DIA-fb20be43-1
0.348
GAB-REV-df64cf17-9
0.348
THO-SYG-98fc3427-7
0.345
MAK-UNK-10799360-7
0.343
THO-SYG-98fc3427-6
0.342
JAN-UNI-2e92c4b1-5
0.341
GAB-REV-df64cf17-1
0.340
MAK-UNK-ec98eaf6-48
0.340
MAK-UNK-10799360-11
0.340
PET-SGC-175e168c-1
0.337
TRY-UNI-1fd04853-1
0.337
PAU-WEI-f734c343-3
0.337
MED-COV-4280ac29-34
0.333
MAK-UNK-10799360-9
0.330
DAR-DIA-fb20be43-5
0.330
MAK-UNK-90d0606b-6
0.324
GAB-REV-df64cf17-19
0.323
MAK-UNK-516d8086-3
0.323
MAK-UNK-516d8086-19
0.323
MAK-UNK-10799360-22
0.323
MAK-UNK-90d0606b-9
0.323
MAK-UNK-3e0761f8-5
0.323
PET-SGC-34dcf0dc-1
0.323
MAK-UNK-ec98eaf6-10
0.320
MAK-UNK-90d0606b-10
0.320
MAK-UNK-90d0606b-2
0.319
BEN-DND-362d364a-3
0.319
MAK-UNK-516d8086-25
0.317
MAK-UNK-516d8086-5
0.316
MAK-UNK-516d8086-9
0.316
MAK-UNK-516d8086-21
0.316
PET-SGC-0f1d26ed-1
0.315
MAK-UNK-ec98eaf6-16
0.313
MAK-UNK-516d8086-13
0.313
SAD-SAT-cefd50cc-10
0.312
MAK-UNK-ec98eaf6-32
0.312
JAN-GHE-fd8d85a5-11
0.312
MAK-UNK-3e0761f8-8
0.311
MAK-UNK-5d2caa6f-20
0.311
MAK-UNK-90d0606b-8
0.309
MAK-UNK-5d2caa6f-1
0.309
DAR-DIA-3e9bbd81-2
0.307
MAK-UNK-3f402c2b-28
0.306
MAK-UNK-bae89c02-2
0.305
JOR-UNI-61e7b1d5-27
0.304
JOR-UNI-61e7b1d5-31
0.304
MAK-UNK-ec98eaf6-34
0.303
JOR-UNI-61e7b1d5-1
0.302
DAR-DIA-fb20be43-3
0.302
MAK-UNK-3e0761f8-1
0.301
MAK-UNK-df1a028e-5
0.301
MAK-UNK-3f402c2b-18
0.300
GAB-REV-df64cf17-21
0.299
JOR-UNI-61e7b1d5-25
0.298
JOR-UNI-61e7b1d5-19
0.297
DAV-CRI-d1e0885a-2
0.296
GAB-REV-df64cf17-15
0.296
JOR-UNI-61e7b1d5-29
0.295
JOR-UNI-61e7b1d5-21
0.294
MAK-UNK-5d2caa6f-16
0.293
MAK-UNK-3e0761f8-3
0.292
MAK-UNK-3f402c2b-19
0.290
DAR-DIA-3e9bbd81-8
0.290
DAR-DIA-3e9bbd81-9
0.290
TRY-UNI-1fd04853-2
0.289
GAB-REV-df64cf17-10
0.288
JOR-UNI-61e7b1d5-13
0.288
MAK-UNK-3f402c2b-20
0.287
JOR-UNI-61e7b1d5-17
0.287
GAB-REV-df64cf17-8
0.284
MAK-UNK-516d8086-10
0.284
MAK-UNK-516d8086-7
0.283