Molecular Properties | |
SMILES: | N#Cc1ccc(C2=NCc3[nH]cnc3C(N3CCN(C(=O)CCl)CC3)C2)cc1 |
MW: | 396.882 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.38 |
cLogP: | 2.09848 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DRR-IMP-38dce17f-7
0.381
MAK-UNK-6ca90168-14
0.381
MAK-UNK-987948f6-3
0.349
DRR-IMP-dff87f5e-9
0.348
FAB-NA_-a03f4448-1
0.343
FAB-UNK-7ad5ab26-1
0.343
FAB-UNK-03d90bbc-1
0.343
SWA-SYN-6423ea73-7
0.341
SWA-SYN-d2e6fa14-7
0.341
FAB-UNK-7ad5ab26-2
0.330
SAD-SAT-f2e2579e-10
0.314
VIK-SYN-9a3d118a-8
0.312
MAK-UNK-af83ef51-26
0.302
NIR-THE-0d6461ce-7
0.301
MAK-UNK-849bee6c-6
0.296
MAK-UNK-af83ef51-32
0.296
FAB-UNK-7ad5ab26-3
0.295
MAT-POS-ee51dedd-1
0.295
MAK-UNK-849bee6c-7
0.291
PAU-WEI-b9b69149-6
0.291
TAM-UNI-d1c3dd9f-17
0.284
MAK-UNK-6ca90168-6
0.284
MAK-UNK-af83ef51-25
0.281
MAK-UNK-af83ef51-23
0.280
GIA-UNK-a79af1bc-1
0.277
PAU-WEI-b9b69149-4
0.275
MAK-UNK-849bee6c-12
0.275
PAU-UNI-52c0427f-1
0.275
DAR-DIA-fb20be43-4
0.275
BRU-LEF-ae0885ba-1
0.275
WAR-XCH-b0339bbe-18
0.274
SAD-SAT-3a925b8b-7
0.274
MAK-UNK-849bee6c-5
0.273
MAK-UNK-10dfa458-40
0.273
PAU-WEI-b9b69149-5
0.272
TAM-UNI-d1c3dd9f-18
0.272
MAR-TRE-6a44bbf2-29
0.271
GIA-UNK-20b63697-4
0.270
DAR-DIA-fb20be43-3
0.269
SAD-SAT-5b1897b2-8
0.269
MAK-UNK-849bee6c-14
0.269
DAR-DIA-fb20be43-6
0.267
MAK-UNK-212f693e-13
0.266
MAK-UNK-6ca90168-9
0.266
MAK-UNK-849bee6c-8
0.265
TAM-UNI-d1c3dd9f-16
0.265
NIM-UNI-310206f0-21
0.264
NIM-UNI-310206f0-35
0.264
MAK-UNK-849bee6c-9
0.264
MAK-UNK-849bee6c-4
0.264
MAK-UNK-849bee6c-3
0.263
MAK-UNK-849bee6c-13
0.263
TAT-ENA-80bfd3e5-10
0.262
DAR-DIA-3e9bbd81-11
0.262
VIK-SYN-9a3d118a-4
0.261
MAR-TRE-6a44bbf2-87
0.261
VIK-SYN-bf9c9ac8-7
0.261
MAK-UNK-849bee6c-15
0.261
MAK-UNK-6ca90168-7
0.260
MAT-POS-162a9720-4
0.258
MAK-UNK-af83ef51-24
0.258
MAK-UNK-d4768348-4
0.258
MAK-UNK-6ca90168-5
0.258
MAR-LAB-efb042c5-1
0.257
RAF-UNK-9885c2f5-2
0.257
MAK-UNK-6ca90168-18
0.256
MAK-UNK-6ca90168-17
0.256
MAR-TRE-6a44bbf2-92
0.255
DAV-CRI-d1e0885a-1
0.255
MAK-UNK-10dfa458-39
0.255
AAR-POS-d2a4d1df-37
0.253
MAK-UNK-6ca90168-22
0.253
MAR-TRE-6a44bbf2-7
0.253
DAV-CRI-d1e0885a-6
0.252
MAR-TRE-6a44bbf2-1
0.252
NIR-THE-0d6461ce-6
0.252
MAK-UNK-849bee6c-16
0.252
MAK-UNK-849bee6c-17
0.252
SAD-SAT-5b1897b2-1
0.250
SAD-SAT-5b1897b2-3
0.250
PED-UNI-b79f0f51-2
0.250
WAR-XCH-79d12f6e-9
0.250
WAR-XCH-72a8c209-6
0.250
MAR-TRE-6a44bbf2-77
0.250
VIK-SYN-bf9c9ac8-6
0.250
VIK-SYN-9a3d118a-2
0.250
DAV-CRI-d1e0885a-4
0.250
MAK-UNK-6ca90168-8
0.250
NIM-UNI-310206f0-30
0.248
SAD-SAT-29425be4-18
0.248
PAU-WEI-f734c343-3
0.248
MED-COV-4280ac29-35
0.248
SAD-SAT-5b1897b2-4
0.247
DRR-IMP-38dce17f-5
0.247
MAT-POS-162a9720-5
0.247
MAK-UNK-6ca90168-15
0.247
MAK-UNK-987948f6-2
0.247
MED-COV-4280ac29-34
0.246
NIM-UNI-310206f0-36
0.245
NIR-THE-c331be7a-2
0.245