Molecular Properties | |
SMILES: | N#Cc1conc1C1CN(C(=O)CCl)Cc2ccc(CO)cc21 |
MW: | 331.07 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.36 |
cLogP: | 1.75 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-14
THO-SYG-4e0386bb-3
0.738
THO-SYG-4e0386bb-1
0.549
TAM-UNI-d1c3dd9f-10
0.359
NIR-THE-c331be7a-2
0.347
MIH-UNI-e573136b-15
0.343
AAR-POS-0daf6b7e-14
0.337
NIR-THE-c331be7a-4
0.326
NIR-THE-c331be7a-6
0.326
MIH-UNI-e573136b-9
0.326
TAM-UNI-d1c3dd9f-3
0.324
NIR-THE-c331be7a-5
0.324
MIH-UNI-e573136b-12
0.324
JAN-LUN-04aedcc0-5
0.320
IND-SYN-6c8299e8-3
0.314
DAR-DIA-caba39e3-2
0.313
DAR-DIA-caba39e3-1
0.312
NIR-THE-c331be7a-1
0.312
DAV-CRI-3fe943ba-1
0.311
DAV-CRI-3fe943ba-2
0.308
DAR-DIA-caba39e3-12
0.308
TAM-UNI-d1c3dd9f-8
0.306
SAL-INS-1c7a5a55-3
0.296
JAN-LUN-04aedcc0-6
0.296
TAM-UNI-d1c3dd9f-7
0.295
JAR-IMP-ed466bb3-2
0.294
DAR-DIA-caba39e3-3
0.294
JAN-LUN-04aedcc0-7
0.293
DAR-DIA-caba39e3-10
0.289
MIH-UNI-e573136b-10
0.289
DAR-DIA-caba39e3-8
0.288
DAR-DIA-caba39e3-7
0.288
SAL-INS-1c7a5a55-1
0.283
SAD-SAT-89668ff1-3
0.282
SAL-INS-1c7a5a55-5
0.280
SAL-INS-1c7a5a55-4
0.279
DAR-DIA-caba39e3-9
0.278
SAL-INS-1c7a5a55-6
0.277
MAK-UNK-849bee6c-18
0.275
DRR-IMP-38dce17f-7
0.273
MAK-UNK-6ca90168-14
0.273
DAR-DIA-caba39e3-13
0.267
MAK-UNK-10dfa458-39
0.266
MAT-POS-ee51dedd-1
0.266
NIR-THE-c331be7a-3
0.264
DAR-DIA-caba39e3-11
0.264
MAK-UNK-849bee6c-9
0.262
MAK-UNK-849bee6c-16
0.262
SAL-INS-1c7a5a55-2
0.261
DAR-DIA-caba39e3-5
0.261
TAT-ENA-80bfd3e5-10
0.260
MIH-UNI-e573136b-11
0.260
MAK-UNK-702fb7d3-10
0.259
MAK-UNK-10dfa458-40
0.258
MED-COV-4280ac29-35
0.257
SAD-SAT-6b5a89f0-3
0.256
MAK-UNK-849bee6c-14
0.255
MAK-UNK-849bee6c-7
0.252
RAL-THA-6ca1b233-3
0.252
NIR-THE-0d6461ce-6
0.250
NIM-UNI-43fe0159-4
0.250
DAR-DIA-caba39e3-6
0.250
MAK-UNK-849bee6c-17
0.250
MAK-UNK-849bee6c-19
0.250
MAK-UNK-6ca90168-9
0.250
MAR-TRE-a78003aa-46
0.250
TAM-UNI-d1c3dd9f-11
0.248
PET-UNK-b1ef24dc-35
0.248
MAK-UNK-10dfa458-43
0.248
WAR-XCH-bdd24732-19
0.248
MAK-UNK-849bee6c-1
0.248
MAK-UNK-849bee6c-5
0.248
MAK-UNK-849bee6c-20
0.246
MAK-UNK-849bee6c-24
0.246
MAK-UNK-af83ef51-22
0.246
MAK-UNK-6ca90168-7
0.245
MAK-UNK-702fb7d3-12
0.245
MAK-UNK-987948f6-3
0.244
DAR-DIA-caba39e3-4
0.244
MAK-UNK-849bee6c-21
0.243
MAK-UNK-ec98eaf6-16
0.243
MAT-POS-7174c657-3
0.243
DAV-CRI-d1e0885a-3
0.243
MAK-UNK-849bee6c-25
0.241
MAK-UNK-849bee6c-22
0.241
MAK-UNK-849bee6c-8
0.241
PET-UNK-b1ef24dc-27
0.239
MAK-UNK-849bee6c-2
0.239
MAK-UNK-849bee6c-13
0.239
SAD-SAT-c989feaa-2
0.239
MAK-UNK-849bee6c-4
0.239
MAK-UNK-849bee6c-12
0.239
MAT-POS-4223bc15-33
0.238
MAK-UNK-702fb7d3-14
0.237
AAR-POS-d2a4d1df-37
0.237
MAR-TRE-6a44bbf2-7
0.237
MAK-UNK-849bee6c-15
0.237
MAK-UNK-849bee6c-6
0.236
WAR-XCH-72a8c209-6
0.236
MAK-UNK-987948f6-9
0.235
RAV-REL-e0cd5b56-3
0.234