Molecular Properties | |
SMILES: | CC(C)N(C)C(=O)c1ccc2c(c1)CN(C(=O)CCl)CC2c1ccccc1 |
MW: | 384.907 |
Fraction sp3: | 0.36 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 40.62 |
cLogP: | 3.8799 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
SAL-INS-1c7a5a55-2
0.663
SAL-INS-1c7a5a55-3
0.624
MIH-UNI-e573136b-10
0.597
AAR-POS-0daf6b7e-14
0.560
MIH-UNI-e573136b-15
0.472
THO-SYG-4e0386bb-1
0.471
SAL-INS-1c7a5a55-5
0.467
SAL-INS-1c7a5a55-4
0.443
NIR-THE-c331be7a-1
0.425
NIR-THE-c331be7a-6
0.425
DAR-DIA-caba39e3-2
0.422
JAR-IMP-ed466bb3-2
0.413
DAR-DIA-caba39e3-1
0.409
NIR-THE-c331be7a-2
0.400
MAK-UNK-702fb7d3-9
0.397
REN-UFA-aaaed2d6-5
0.394
JAR-IMP-ed466bb3-8
0.393
REN-UFA-aaaed2d6-3
0.389
REN-UFA-aaaed2d6-2
0.380
REN-UFA-aaaed2d6-6
0.379
REN-UFA-aaaed2d6-1
0.376
DAV-CRI-3fe943ba-1
0.370
DAV-CRI-3fe943ba-2
0.366
JAR-IMP-ed466bb3-13
0.366
TAM-UNI-d1c3dd9f-8
0.363
TAM-UNI-d1c3dd9f-7
0.362
NIR-THE-c331be7a-5
0.356
MIH-UNI-e573136b-12
0.356
TAM-UNI-d1c3dd9f-3
0.356
MIH-UNI-e573136b-9
0.348
NIR-THE-c331be7a-4
0.348
MAK-UNK-702fb7d3-17
0.347
TAM-UNI-d1c3dd9f-11
0.342
MAK-UNK-702fb7d3-10
0.341
JAR-IMP-ed466bb3-7
0.340
TAM-UNI-d1c3dd9f-10
0.340
JAR-IMP-ed466bb3-3
0.337
REN-UFA-aaaed2d6-4
0.337
DAR-DIA-caba39e3-4
0.336
MAK-UNK-702fb7d3-21
0.336
MAK-UNK-702fb7d3-8
0.333
DAR-DIA-caba39e3-6
0.333
DAR-DIA-caba39e3-9
0.333
THO-SYG-4e0386bb-3
0.330
JAR-IMP-ed466bb3-12
0.327
DAR-DIA-caba39e3-3
0.324
RAI-NOV-2f6a9876-6
0.323
DAR-DIA-caba39e3-5
0.321
JAR-IMP-ed466bb3-6
0.321
MAK-UNK-702fb7d3-1
0.320
IND-SYN-6c8299e8-3
0.320
DAR-DIA-caba39e3-7
0.320
DAR-DIA-caba39e3-8
0.320
MAK-UNK-702fb7d3-13
0.318
DAR-DIA-caba39e3-10
0.318
MAK-UNK-702fb7d3-14
0.318
SAL-INS-1c7a5a55-6
0.318
RAI-NOV-a7d52b4a-2
0.316
MAK-UNK-702fb7d3-11
0.315
JAR-IMP-ed466bb3-4
0.314
SAD-SAT-1f400d17-9
0.313
NIR-THE-c331be7a-3
0.313
DAR-DIA-caba39e3-11
0.313
MAK-UNK-702fb7d3-19
0.305
NAU-LAT-64f4b287-4
0.302
DAR-DIA-caba39e3-12
0.302
JAN-LUN-04aedcc0-6
0.301
MAK-UNK-702fb7d3-2
0.300
MAK-UNK-702fb7d3-3
0.300
DUN-NEW-f8ce3686-22
0.300
VIK-SYN-bf9c9ac8-1
0.299
YOI-UNK-15f562e8-4
0.299
SEA-TRI-fac72a44-1
0.296
RAI-NOV-a7d52b4a-5
0.295
JAR-IMP-ed466bb3-1
0.295
MAK-UNK-6ca90168-11
0.294
DAV-CRI-8c8dd668-1
0.294
DAR-DIA-caba39e3-13
0.293
MAK-UNK-af83ef51-2
0.292
MAK-UNK-702fb7d3-18
0.290
RAI-NOV-a7d52b4a-4
0.290
SIM-SYN-f15aaa3a-1
0.289
DAV-CRI-f4772df7-1
0.288
GIA-UNK-7337c2f3-7
0.286
MAK-UNK-702fb7d3-20
0.285
THO-SYG-4e0386bb-2
0.283
LON-WEI-120e5cf5-5
0.281
RAI-NOV-a7d52b4a-3
0.279
MIH-UNI-e573136b-11
0.278
THO-SYG-f9b2970d-8
0.278
DAV-SYG-f22c749d-5
0.277
MAK-UNK-bae89c02-1
0.277
AAR-POS-0daf6b7e-19
0.277
VIR-GIT-7b3d3065-3
0.277
DAV-CRI-b7083e67-1
0.277
MAK-UNK-df1a028e-7
0.277
GIA-UNK-7337c2f3-8
0.277
MAK-UNK-702fb7d3-12
0.276
MAK-UNK-702fb7d3-5
0.276
MAR-TRE-6a44bbf2-99
0.276