Molecular Properties | |
SMILES: | N#Cc1cccc(N2CCN(C(=O)CCl)C(c3cccnc3)C2=O)c1 |
MW: | 354.09 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 77.3 |
cLogP: | 2.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MIC-UNK-df342a3f-2
0.647
MIC-UNK-e8a42ca9-1
0.346
MIC-UNK-e8a42ca9-2
0.343
MIH-UNI-e573136b-2
0.330
TAT-ENA-80bfd3e5-10
0.326
MAK-UNK-10dfa458-40
0.326
MAT-POS-ee51dedd-1
0.322
ERI-UCB-ce40166b-24
0.317
NIM-UNI-363644a0-1
0.313
DAV-CRI-1c77f7a9-4
0.309
JOR-UNI-61e7b1d5-12
0.308
JAN-GHE-83b26c96-18
0.308
JOR-UNI-61e7b1d5-5
0.306
ERI-UCB-ce40166b-22
0.306
DAV-CRI-1c77f7a9-1
0.305
DAR-DIA-23aa0b97-4
0.304
JOR-UNI-61e7b1d5-9
0.304
MAK-UNK-10dfa458-41
0.302
MAK-UNK-10dfa458-42
0.301
MIH-UNI-e573136b-3
0.300
JOR-UNI-61e7b1d5-22
0.300
WAR-XCH-eb7b662f-1
0.300
DAR-DIA-23aa0b97-5
0.300
ANN-UNI-26382800-4
0.300
JOR-UNI-61e7b1d5-2
0.300
DAV-CRI-1c77f7a9-3
0.299
DAR-DIA-3e9bbd81-11
0.299
MAK-UNK-5d2caa6f-1
0.299
SAD-SAT-c989feaa-2
0.298
WAR-XCH-79d12f6e-8
0.298
NIM-UNI-310206f0-35
0.296
JOR-UNI-61e7b1d5-3
0.294
JOR-UNI-61e7b1d5-14
0.294
DAR-DIA-fc970077-4
0.293
NIR-THE-c331be7a-2
0.293
THO-SYG-f9b2970d-1
0.291
MAK-UNK-ec98eaf6-51
0.291
JOR-UNI-61e7b1d5-26
0.291
NIM-UNI-0ea3b7bf-5
0.290
JOR-UNI-61e7b1d5-20
0.290
JOR-UNI-61e7b1d5-16
0.288
JOR-UNI-61e7b1d5-24
0.288
LON-WEI-120e5cf5-11
0.287
ANN-UNI-26382800-5
0.287
NIM-UNI-0ea3b7bf-3
0.287
MAR-TRE-c8530538-15
0.287
MAK-UNK-ec98eaf6-53
0.286
DAR-DIA-3e9bbd81-7
0.286
MAK-UNK-ec98eaf6-40
0.286
PAU-WEI-b9b69149-4
0.286
NIM-UNI-310206f0-21
0.284
DAV-CRI-1c77f7a9-8
0.284
PET-UNK-4dc48bbe-2
0.284
DRR-IMP-38dce17f-4
0.284
WAR-XCH-bdd24732-19
0.282
JOR-UNI-61e7b1d5-28
0.282
JOR-UNI-61e7b1d5-30
0.282
EMI-TUK-6c6b371f-1
0.281
EMI-TUK-b780fc43-1
0.281
DAV-CRI-1c77f7a9-2
0.280
THO-SYG-f9b2970d-3
0.279
EDJ-MED-e66f2cc5-2
0.278
PAU-WEI-b9b69149-6
0.278
DAV-CRI-8c8dd668-1
0.277
DAR-DIA-fc970077-8
0.277
MAK-UNK-ec98eaf6-52
0.276
DAV-CRI-1c77f7a9-5
0.275
JOR-UNI-61e7b1d5-18
0.275
PEI-IMP-ca0b2813-1
0.275
MAK-UNK-849bee6c-9
0.275
DAN-MCD-02570321-1
0.272
MAR-TRE-2fd8122f-39
0.272
PET-UNK-7a31b064-6
0.272
DAR-DIA-fc970077-2
0.272
JOR-UNI-61e7b1d5-10
0.271
DAV-CRI-1c77f7a9-6
0.270
PAU-WEI-b9b69149-5
0.270
JOR-UNI-61e7b1d5-13
0.270
ALP-UNI-fe744232-3
0.268
PET-UNK-4dc48bbe-7
0.268
STE-KUL-2e0d2e88-3
0.268
JOR-UNI-61e7b1d5-7
0.267
DAR-DIA-fc970077-12
0.266
NIM-UNI-36e12f95-1
0.265
KTA-UNK-dac325de-1
0.265
JOR-UNI-61e7b1d5-6
0.265
PEI-IMP-ca0b2813-4
0.265
MAK-UNK-90d0606b-4
0.264
DAR-DIA-fc970077-7
0.263
DAR-DIA-23aa0b97-6
0.263
BEN-DND-61647d40-8
0.263
JOR-UNI-61e7b1d5-27
0.263
JOR-UNI-61e7b1d5-23
0.263
ALP-POS-02c6a514-33
0.262
NIR-THE-0d6461ce-7
0.262
SAD-SAT-29425be4-27
0.262
FOC-CAS-e3a94da8-1
0.262
WAR-XCH-6eb0722e-1
0.262
MIK-MCD-9143301b-1
0.262
MAK-UNK-748f8b7a-6
0.261