Molecular Properties | |
SMILES: | O=C(CCl)N1CC2C(=CC=C2C2CN(C(=O)CCl)Cc3ccccc32)C(c2ccccc2)C1 |
MW: | 481.423 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 40.62 |
cLogP: | 4.6986 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
AAR-POS-0daf6b7e-14
0.662
NIR-THE-c331be7a-6
0.519
NIR-THE-c331be7a-2
0.506
NIR-THE-c331be7a-1
0.500
DAR-DIA-caba39e3-1
0.500
DAR-DIA-caba39e3-2
0.494
MIH-UNI-e573136b-9
0.481
NIR-THE-c331be7a-4
0.481
THO-SYG-4e0386bb-1
0.476
MIH-UNI-e573136b-10
0.469
JAR-IMP-ed466bb3-8
0.463
MIH-UNI-e573136b-15
0.443
IND-SYN-6c8299e8-3
0.438
DAR-DIA-caba39e3-7
0.438
DAR-DIA-caba39e3-8
0.438
NIR-THE-c331be7a-5
0.430
MIH-UNI-e573136b-12
0.430
TAM-UNI-d1c3dd9f-3
0.430
TAM-UNI-d1c3dd9f-8
0.421
DAR-DIA-caba39e3-9
0.419
TAM-UNI-d1c3dd9f-7
0.418
DAV-CRI-3fe943ba-1
0.415
SAL-INS-1c7a5a55-1
0.413
DAV-CRI-3fe943ba-2
0.411
TAM-UNI-d1c3dd9f-10
0.411
REN-UFA-aaaed2d6-3
0.407
DAR-DIA-caba39e3-3
0.406
REN-UFA-aaaed2d6-2
0.398
JAR-IMP-ed466bb3-13
0.398
REN-UFA-aaaed2d6-5
0.396
SAL-INS-1c7a5a55-5
0.394
REN-UFA-aaaed2d6-1
0.393
DAR-DIA-caba39e3-10
0.382
TAM-UNI-d1c3dd9f-11
0.381
REN-UFA-aaaed2d6-6
0.380
JAR-IMP-ed466bb3-3
0.380
MIH-UNI-e573136b-11
0.379
REN-UFA-aaaed2d6-4
0.379
JAR-IMP-ed466bb3-12
0.379
DAR-DIA-caba39e3-13
0.377
SAL-INS-1c7a5a55-2
0.376
DAR-DIA-caba39e3-12
0.374
DAR-DIA-caba39e3-4
0.374
NIR-THE-c331be7a-3
0.374
RAI-NOV-a7d52b4a-2
0.374
DAR-DIA-caba39e3-6
0.371
DAR-DIA-caba39e3-5
0.371
JAR-IMP-ed466bb3-7
0.370
SAD-SAT-1f400d17-9
0.370
JAR-IMP-ed466bb3-4
0.367
RAI-NOV-2f6a9876-6
0.366
DAR-DIA-caba39e3-11
0.361
RAI-NOV-a7d52b4a-5
0.361
JAR-IMP-ed466bb3-6
0.358
JAN-LUN-04aedcc0-6
0.357
MAT-POS-7174c657-3
0.341
RAI-NOV-a7d52b4a-4
0.340
JAR-IMP-ed466bb3-1
0.330
MAK-UNK-702fb7d3-13
0.328
MAK-UNK-702fb7d3-14
0.328
DAV-CRI-1c77f7a9-1
0.323
MAK-UNK-702fb7d3-12
0.315
MAK-UNK-702fb7d3-17
0.315
JAR-IMP-ed466bb3-9
0.313
MAK-UNK-702fb7d3-1
0.310
DAV-CRI-1c77f7a9-7
0.307
MAK-UNK-702fb7d3-21
0.304
RAI-NOV-a7d52b4a-1
0.304
DAV-CRI-1c77f7a9-3
0.304
RAI-NOV-a7d52b4a-3
0.303
GIA-UNK-c4371e97-2
0.301
SAL-INS-1c7a5a55-3
0.301
DOU-UNK-b5326f8f-14
0.300
MAK-UNK-702fb7d3-10
0.300
MAK-UNK-702fb7d3-9
0.299
DAV-CRI-b7083e67-1
0.299
DUN-NEW-f8ce3686-22
0.299
DAV-CRI-1c77f7a9-6
0.298
DAV-CRI-1c77f7a9-2
0.297
GIA-UNK-c4371e97-1
0.297
JAR-IMP-ed466bb3-14
0.296
SAL-INS-1c7a5a55-4
0.295
THO-SYG-4e0386bb-2
0.294
MAK-UNK-702fb7d3-19
0.294
MAK-UNK-6ca90168-11
0.293
JAR-IMP-ed466bb3-17
0.291
THO-SYG-4e0386bb-3
0.291
MAK-UNK-702fb7d3-3
0.289
JAR-IMP-ed466bb3-16
0.289
NAU-LAT-64f4b287-4
0.287
DAV-CRI-f4772df7-1
0.287
MIH-UNI-e573136b-13
0.286
AAR-POS-0daf6b7e-5
0.286
MAK-UNK-702fb7d3-11
0.285
DAV-CRI-f4772df7-3
0.283
MIH-UNI-e573136b-14
0.282
WAR-XCH-b72a1bbc-22
0.282
GIA-UNK-20b63697-6
0.281
JAR-IMP-ed466bb3-5
0.281
MAR-TRE-6a44bbf2-21
0.280