Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2cc(O)ccc2C(c2ccccc2)C1 |
MW: | 301.773 |
Fraction sp3: | 0.24 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 40.54 |
cLogP: | 3.1051 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-14
0.656
SAL-INS-1c7a5a55-1
0.597
THO-SYG-4e0386bb-1
0.541
SAL-INS-1c7a5a55-2
0.535
SAL-INS-1c7a5a55-5
0.531
MIH-UNI-e573136b-15
0.500
JAR-IMP-ed466bb3-2
0.469
DAR-DIA-caba39e3-1
0.468
NIR-THE-c331be7a-1
0.468
JAR-IMP-ed466bb3-8
0.468
NIR-THE-c331be7a-6
0.468
NIR-THE-c331be7a-2
0.456
DAR-DIA-caba39e3-2
0.444
REN-UFA-aaaed2d6-2
0.415
NIR-THE-c331be7a-4
0.412
MIH-UNI-e573136b-9
0.412
MAK-UNK-702fb7d3-9
0.411
TAM-UNI-d1c3dd9f-7
0.404
DAV-CRI-3fe943ba-2
0.396
JAN-LUN-04aedcc0-6
0.393
JAR-IMP-ed466bb3-12
0.392
REN-UFA-aaaed2d6-3
0.390
MIH-UNI-e573136b-12
0.385
TAM-UNI-d1c3dd9f-3
0.385
NIR-THE-c331be7a-5
0.385
DAV-CRI-3fe943ba-1
0.385
REN-UFA-aaaed2d6-5
0.379
JAR-IMP-ed466bb3-3
0.379
REN-UFA-aaaed2d6-6
0.379
RAI-NOV-2f6a9876-6
0.379
REN-UFA-aaaed2d6-1
0.376
DAR-DIA-caba39e3-8
0.375
IND-SYN-6c8299e8-3
0.375
SAD-SAT-1f400d17-9
0.368
JAR-IMP-ed466bb3-13
0.365
JAN-LUN-04aedcc0-7
0.364
REN-UFA-aaaed2d6-4
0.363
TAM-UNI-d1c3dd9f-8
0.362
DAR-DIA-caba39e3-7
0.360
JAR-IMP-ed466bb3-6
0.356
RAI-NOV-a7d52b4a-2
0.356
DAV-CRI-f4772df7-3
0.353
JAR-IMP-ed466bb3-7
0.352
JAR-IMP-ed466bb3-4
0.351
MAK-UNK-702fb7d3-10
0.350
JAN-LUN-04aedcc0-5
0.345
DAR-DIA-caba39e3-9
0.344
DAR-DIA-caba39e3-6
0.343
THO-SYG-4e0386bb-3
0.340
SAL-INS-1c7a5a55-6
0.340
TAM-UNI-d1c3dd9f-11
0.340
SEA-TRI-fac72a44-1
0.340
SAL-INS-1c7a5a55-3
0.337
TAM-UNI-d1c3dd9f-10
0.337
RAI-NOV-a7d52b4a-4
0.337
DAR-DIA-caba39e3-3
0.333
DAR-DIA-caba39e3-12
0.333
MAK-UNK-702fb7d3-8
0.331
DAR-DIA-caba39e3-5
0.330
SAL-INS-1c7a5a55-4
0.330
RAI-NOV-a7d52b4a-5
0.330
MAK-UNK-702fb7d3-1
0.328
JAR-IMP-ed466bb3-17
0.326
MAK-UNK-702fb7d3-13
0.325
MAK-UNK-702fb7d3-14
0.325
DAR-DIA-caba39e3-13
0.324
MAK-UNK-702fb7d3-11
0.322
MAK-UNK-702fb7d3-17
0.322
DAR-DIA-caba39e3-4
0.321
MIH-UNI-e573136b-11
0.314
JAR-IMP-ed466bb3-1
0.314
DAR-DIA-caba39e3-10
0.314
DAV-CRI-8c8dd668-1
0.313
MAK-UNK-702fb7d3-21
0.311
DUN-NEW-f8ce3686-22
0.309
JAR-IMP-ed466bb3-9
0.309
NIR-THE-c331be7a-3
0.308
MAK-UNK-6ca90168-11
0.303
MAK-UNK-702fb7d3-19
0.300
SIM-SYN-f15aaa3a-1
0.297
DAR-DIA-caba39e3-11
0.296
MAK-UNK-702fb7d3-3
0.295
AAR-POS-0daf6b7e-5
0.295
DAV-CRI-b7083e67-1
0.294
DAV-CRI-f4772df7-1
0.294
MAT-POS-7174c657-3
0.292
LON-WEI-120e5cf5-15
0.291
MAR-TRE-6a44bbf2-86
0.291
MAK-UNK-7c9d1431-9
0.289
SAD-SAT-65574d3f-9
0.289
MAR-TRE-6a44bbf2-21
0.289
AHN-SAT-de2502ba-7
0.289
GIA-UNK-4de5abb1-1
0.289
DAN-LON-a5fc619e-5
0.289
PAU-WEI-b9b69149-1
0.289
WAR-XCH-b72a1bbc-22
0.289
DAV-CRI-1c77f7a9-7
0.289
AVI-UNI-70b60925-1
0.289
THO-SYG-4e0386bb-2
0.289
DRR-IMP-38dce17f-3
0.288