Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2ccc(CO)cc2C(c2ccccc2)C1 |
MW: | 315.1 |
Fraction sp3: | 0.28 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 40.54 |
cLogP: | 2.89 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-14
AAR-POS-0daf6b7e-14
0.636
MIH-UNI-e573136b-15
0.605
THO-SYG-4e0386bb-2
0.549
MIH-UNI-e573136b-10
0.541
SAL-INS-1c7a5a55-5
0.500
JAR-IMP-ed466bb3-2
0.476
SAL-INS-1c7a5a55-1
0.471
NIR-THE-c331be7a-6
0.456
NIR-THE-c331be7a-1
0.456
DAR-DIA-caba39e3-1
0.456
DAR-DIA-caba39e3-2
0.451
NIR-THE-c331be7a-2
0.444
JAR-IMP-ed466bb3-8
0.438
SAL-INS-1c7a5a55-2
0.426
DAV-CRI-3fe943ba-1
0.407
MIH-UNI-e573136b-9
0.402
NIR-THE-c331be7a-4
0.402
DAV-CRI-3fe943ba-2
0.402
MAK-UNK-702fb7d3-10
0.402
TAM-UNI-d1c3dd9f-8
0.398
TAM-UNI-d1c3dd9f-7
0.396
NIR-THE-c331be7a-5
0.391
MIH-UNI-e573136b-12
0.391
TAM-UNI-d1c3dd9f-3
0.391
THO-SYG-4e0386bb-3
0.391
DAR-DIA-caba39e3-7
0.367
DAR-DIA-caba39e3-8
0.367
IND-SYN-6c8299e8-3
0.367
REN-UFA-aaaed2d6-3
0.365
REN-UFA-aaaed2d6-2
0.356
REN-UFA-aaaed2d6-5
0.356
REN-UFA-aaaed2d6-1
0.352
DAR-DIA-caba39e3-9
0.351
JAR-IMP-ed466bb3-6
0.350
JAN-LUN-04aedcc0-6
0.348
TAM-UNI-d1c3dd9f-11
0.346
MAK-UNK-702fb7d3-9
0.345
SAD-SAT-1f400d17-9
0.344
TAM-UNI-d1c3dd9f-10
0.344
JAR-IMP-ed466bb3-12
0.343
JAR-IMP-ed466bb3-13
0.341
JAR-IMP-ed466bb3-3
0.341
REN-UFA-aaaed2d6-6
0.341
REN-UFA-aaaed2d6-4
0.340
DAR-DIA-caba39e3-3
0.340
JAN-LUN-04aedcc0-5
0.339
MIH-UNI-e573136b-11
0.337
RAI-NOV-a7d52b4a-2
0.333
JAR-IMP-ed466bb3-7
0.330
DAR-DIA-caba39e3-11
0.327
DAR-DIA-caba39e3-12
0.327
RAI-NOV-2f6a9876-6
0.326
DAR-DIA-caba39e3-5
0.324
DAR-DIA-caba39e3-6
0.324
JAN-LUN-04aedcc0-7
0.321
DAR-DIA-caba39e3-10
0.320
DAR-DIA-caba39e3-13
0.318
DUN-NEW-f8ce3686-22
0.317
MAK-UNK-10dfa458-39
0.317
JAR-IMP-ed466bb3-4
0.316
MAK-UNK-7c9d1431-24
0.315
DRR-IMP-38dce17f-3
0.315
DAR-DIA-caba39e3-4
0.315
NIR-THE-c331be7a-3
0.315
MAK-UNK-702fb7d3-8
0.315
DAN-LON-a5fc619e-5
0.311
MAK-UNK-702fb7d3-13
0.310
RAI-NOV-a7d52b4a-5
0.309
MAK-UNK-702fb7d3-14
0.309
SEA-TRI-fac72a44-1
0.308
JAR-IMP-ed466bb3-1
0.308
SAL-INS-1c7a5a55-6
0.307
MAK-UNK-702fb7d3-17
0.306
GIA-UNK-c4371e97-2
0.304
RAI-NOV-a7d52b4a-4
0.303
MAK-UNK-702fb7d3-1
0.301
MAT-POS-7174c657-3
0.300
MAK-UNK-987948f6-2
0.297
MAK-UNK-702fb7d3-11
0.296
MAK-UNK-6ca90168-11
0.295
DAV-CRI-8c8dd668-1
0.294
JOE-SYG-2c9a1216-1
0.293
SAL-INS-1c7a5a55-11
0.293
MAK-UNK-af83ef51-2
0.293
GIA-UNK-c4371e97-3
0.292
MAK-UNK-df1a028e-7
0.291
SAL-INS-1c7a5a55-3
0.290
GIA-UNK-20b63697-1
0.289
NAU-LAT-64f4b287-4
0.289
JAR-IMP-ed466bb3-9
0.289
DAV-CRI-b7083e67-1
0.288
DAV-CRI-f4772df7-1
0.288
MAK-UNK-7c9d1431-23
0.287
MAR-TRE-6a44bbf2-28
0.287
AAR-POS-d2a4d1df-24
0.287
MAK-UNK-702fb7d3-12
0.286
DAV-CRI-1c77f7a9-1
0.286
DAV-CRI-f4772df7-3
0.284
SAL-INS-1c7a5a55-4
0.284
GIA-UNK-20b63697-8
0.284