Molecular Properties | |
SMILES: | O=C(Nc1cc2cc(C(=O)O)cnc2[nH]1)Nc1cc(O)ccc1C1CN(C(=O)CCl)Cc2ccccc21 |
MW: | 519.945 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 5 |
TPSA: | 147.65 |
cLogP: | 4.3236 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
JAN-LUN-04aedcc0-5
0.796
JAN-LUN-04aedcc0-4
0.555
JAN-LUN-04aedcc0-7
0.464
AAR-POS-0daf6b7e-14
0.416
NIR-THE-c331be7a-6
0.402
MIH-UNI-e573136b-9
0.402
NIR-THE-c331be7a-4
0.402
JAN-LUN-04aedcc0-3
0.400
MIH-UNI-e573136b-10
0.393
NIR-THE-c331be7a-1
0.389
DAR-DIA-caba39e3-1
0.389
DAR-DIA-caba39e3-8
0.386
NIR-THE-c331be7a-2
0.382
DAR-DIA-caba39e3-2
0.375
DAR-DIA-caba39e3-13
0.375
TAM-UNI-d1c3dd9f-7
0.374
DAR-DIA-caba39e3-7
0.374
DAR-DIA-caba39e3-12
0.372
DAR-DIA-caba39e3-10
0.368
TAM-UNI-d1c3dd9f-10
0.367
DAR-DIA-caba39e3-3
0.364
IND-SYN-6c8299e8-3
0.362
DAR-DIA-caba39e3-4
0.362
DAR-DIA-caba39e3-9
0.361
MIH-UNI-e573136b-12
0.358
NIR-THE-c331be7a-5
0.358
TAM-UNI-d1c3dd9f-3
0.358
JAR-IMP-ed466bb3-2
0.357
TAM-UNI-d1c3dd9f-8
0.352
DAR-DIA-caba39e3-11
0.351
MAK-UNK-702fb7d3-12
0.349
DAR-DIA-caba39e3-5
0.349
DAR-DIA-caba39e3-6
0.349
THO-SYG-4e0386bb-1
0.348
DAV-CRI-3fe943ba-1
0.347
TAM-UNI-d1c3dd9f-11
0.346
JAR-IMP-ed466bb3-12
0.333
NIR-THE-c331be7a-3
0.331
JAR-IMP-ed466bb3-8
0.327
DAV-CRI-3fe943ba-2
0.323
JAN-LUN-04aedcc0-1
0.321
MIH-UNI-e573136b-15
0.319
SAL-INS-1c7a5a55-2
0.310
MAK-UNK-702fb7d3-13
0.307
MAK-UNK-702fb7d3-14
0.307
THO-SYG-4e0386bb-3
0.304
JAN-LUN-04aedcc0-2
0.303
SAL-INS-1c7a5a55-1
0.301
JAR-IMP-ed466bb3-6
0.299
THO-SYG-4e0386bb-2
0.296
SAL-INS-1c7a5a55-5
0.288
MIH-UNI-e573136b-11
0.282
SAL-INS-1c7a5a55-3
0.281
SAD-SAT-1f400d17-9
0.279
MAT-POS-7174c657-3
0.277
SAL-INS-1c7a5a55-4
0.277
REN-UFA-aaaed2d6-5
0.276
JAR-IMP-ed466bb3-17
0.273
SEA-TRI-fac72a44-1
0.268
DAV-CRI-1c77f7a9-1
0.268
MAK-UNK-702fb7d3-1
0.266
JAR-IMP-ed466bb3-3
0.266
SEA-TRI-38830027-1
0.265
REN-UFA-aaaed2d6-2
0.264
JAR-IMP-ed466bb3-13
0.264
RAI-NOV-a7d52b4a-1
0.264
DAV-CRI-1c77f7a9-5
0.264
DAV-CRI-1c77f7a9-4
0.263
MAK-UNK-702fb7d3-11
0.263
JOH-MSK-2d8052dc-1
0.263
JAR-IMP-ed466bb3-4
0.262
RAI-NOV-a7d52b4a-2
0.260
DOU-UNK-b5326f8f-14
0.260
MAK-UNK-5d2caa6f-13
0.260
MIH-UNI-e573136b-13
0.260
DAV-CRI-f4772df7-3
0.259
REN-UFA-aaaed2d6-3
0.258
MAK-UNK-702fb7d3-9
0.258
DAV-CRI-1c77f7a9-2
0.258
MIH-UNI-e573136b-14
0.257
DAV-SYG-f22c749d-5
0.256
DAV-CRI-1c77f7a9-7
0.256
SAL-INS-1c7a5a55-6
0.256
MAK-UNK-702fb7d3-21
0.253
MAK-UNK-702fb7d3-17
0.253
REN-UFA-aaaed2d6-1
0.252
LON-WEI-120e5cf5-14
0.252
RAI-NOV-a7d52b4a-4
0.252
DAV-CRI-1c77f7a9-8
0.252
MAK-UNK-702fb7d3-10
0.252
JAR-IMP-ed466bb3-9
0.250
DAV-CRI-1c77f7a9-6
0.250
REN-UFA-aaaed2d6-4
0.248
JAR-IMP-ed466bb3-7
0.248
MAK-UNK-e4a48a85-27
0.246
RAI-NOV-a7d52b4a-5
0.246
REN-UFA-aaaed2d6-6
0.246
RAI-NOV-2f6a9876-6
0.246
MAK-UNK-3f402c2b-19
0.246
MAK-UNK-702fb7d3-8
0.245