Molecular Properties | |
SMILES: | O=C1CCCN1c1cccc(C2c3ccccc3C(c3ccccc3)CN2C(=O)CCl)c1 |
MW: | 444.962 |
Fraction sp3: | 0.26 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 40.62 |
cLogP: | 5.11570000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAV-CRI-b7083e67-1
0.442
DAV-CRI-f4772df7-3
0.393
DAV-CRI-f4772df7-1
0.383
DAV-CRI-f4772df7-2
0.383
MAK-UNK-c8c8f7e2-6
0.378
AAR-POS-0daf6b7e-11
0.367
LON-WEI-8f408cad-1
0.367
MAK-UNK-7a704a63-10
0.367
MAK-UNK-c8c8f7e2-5
0.344
MAK-UNK-c8c8f7e2-18
0.340
MAK-UNK-c8c8f7e2-7
0.340
MAK-UNK-c8c8f7e2-20
0.337
AAR-POS-0daf6b7e-14
0.333
MAK-UNK-c8c8f7e2-4
0.333
DOU-UNK-b5326f8f-9
0.333
JAR-IMP-ed466bb3-5
0.331
MAK-UNK-1e8f9e3c-4
0.330
MAK-UNK-c8c8f7e2-8
0.330
MAK-UNK-6435e6c2-4
0.326
MAK-UNK-7a704a63-9
0.323
MAK-UNK-c8c8f7e2-1
0.322
MAK-UNK-7a704a63-8
0.322
MAK-UNK-c8c8f7e2-15
0.322
MAK-UNK-c8c8f7e2-2
0.319
MAK-UNK-7a704a63-11
0.319
MAK-UNK-c8c8f7e2-3
0.319
MAK-UNK-1e8f9e3c-3
0.317
MAK-UNK-1e8f9e3c-5
0.317
MAK-UNK-c8c8f7e2-17
0.316
MAK-UNK-c8c8f7e2-33
0.315
MAK-UNK-c8c8f7e2-34
0.315
MIH-UNI-e573136b-10
0.313
MAK-UNK-c8c8f7e2-16
0.312
MAK-UNK-1e8f9e3c-6
0.311
MAK-UNK-10dfa458-3
0.309
MAK-UNK-10dfa458-22
0.309
MAR-TRE-799db12b-69
0.308
MAK-UNK-c8c8f7e2-41
0.304
MAK-UNK-7a704a63-18
0.304
AAR-UNI-c25c2f1e-103
0.304
MAK-UNK-702fb7d3-5
0.300
MAR-TRE-2fd8122f-39
0.295
MAK-UNK-c8c8f7e2-31
0.295
THO-SYG-4e0386bb-1
0.294
MAR-TRE-6a44bbf2-99
0.294
SAL-INS-1c7a5a55-1
0.294
MAR-TRE-799db12b-49
0.290
MAK-UNK-c8c8f7e2-32
0.289
SAL-INS-1c7a5a55-2
0.282
MAK-UNK-7a704a63-24
0.281
MAK-UNK-9159f8ed-3
0.280
AAR-UNI-c25c2f1e-61
0.279
SAL-INS-1c7a5a55-5
0.279
MAK-UNK-9159f8ed-1
0.278
MIH-UNI-e573136b-15
0.278
MIC-UNK-df342a3f-1
0.277
DAV-CRI-f4772df7-5
0.276
DAN-LON-a5fc619e-5
0.276
DAV-CRI-f4772df7-4
0.274
DAV-CRI-f4772df7-6
0.272
MIC-UNK-df342a3f-2
0.272
JAR-IMP-ed466bb3-8
0.272
RAI-NOV-a7d52b4a-2
0.271
JAR-IMP-ed466bb3-2
0.269
DOU-UNK-b5326f8f-7
0.268
MAK-UNK-10dfa458-25
0.268
MAK-UNK-10dfa458-32
0.267
RAI-NOV-2f6a9876-6
0.266
MAK-UNK-9159f8ed-6
0.266
MAK-UNK-1e8f9e3c-1
0.266
MAR-TRE-9d18ae8c-65
0.266
MAK-UNK-9159f8ed-4
0.265
BEN-VAN-5787f7d3-12
0.265
MAK-UNK-10dfa458-23
0.263
BEN-VAN-5787f7d3-11
0.263
MAK-UNK-9159f8ed-5
0.263
REN-UFA-aaaed2d6-1
0.262
MAK-UNK-ec98eaf6-12
0.262
MAK-UNK-9159f8ed-7
0.261
MAK-UNK-7a704a63-7
0.260
MAK-UNK-c8c8f7e2-12
0.260
JAR-IMP-ed466bb3-6
0.260
NIR-THE-c331be7a-6
0.260
NIR-THE-c331be7a-1
0.260
MAK-UNK-1e8f9e3c-2
0.259
MAK-UNK-7a704a63-23
0.258
REN-UFA-aaaed2d6-3
0.257
JAR-IMP-ed466bb3-7
0.257
BEN-VAN-5787f7d3-10
0.257
MAK-UNK-902cc841-3
0.257
PEI-IMP-e4a008a2-1
0.255
JAR-IMP-ed466bb3-3
0.255
BEN-VAN-5787f7d3-1
0.254
MAK-UNK-c8c8f7e2-40
0.253
MAK-UNK-7a704a63-17
0.253
MAK-UNK-7a704a63-19
0.253
MAK-UNK-c8c8f7e2-36
0.253
MED-COV-4280ac29-27
0.252
DAV-CRI-1c77f7a9-3
0.252
MAK-UNK-9159f8ed-2
0.252