Molecular Properties | |
SMILES: | NS(=O)(=O)c1cc2c(cc1C(F)F)CCN(CC1CC3CC1CN3C(=O)CCl)C2 |
MW: | 447.12 |
Fraction sp3: | 0.63 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.71 |
cLogP: | 2.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-10799360-7
0.718
MAK-UNK-90d0606b-6
0.655
STU-CHA-814c6126-1
0.571
MAK-UNK-10799360-11
0.427
STU-CHA-09bcc2f6-1
0.386
MAK-UNK-ec98eaf6-35
0.382
MAK-UNK-ec98eaf6-33
0.361
STU-CHA-83dacf15-1
0.350
MAK-UNK-ec98eaf6-38
0.344
MAK-UNK-ec98eaf6-37
0.330
MAK-UNK-ec98eaf6-48
0.324
MAK-UNK-df1a028e-5
0.313
MAK-UNK-ec98eaf6-36
0.306
MAK-UNK-3e0761f8-6
0.303
STU-CHA-83dacf15-3
0.300
STU-CHA-83dacf15-2
0.296
MAK-UNK-3e0761f8-8
0.296
MAK-UNK-ec98eaf6-43
0.293
MAK-UNK-10799360-16
0.291
MAK-UNK-3f402c2b-18
0.286
MAK-UNK-10799360-15
0.286
DAV-CRI-3fe943ba-1
0.283
MAK-UNK-5d2caa6f-20
0.283
MAK-UNK-ec98eaf6-5
0.281
MAK-UNK-ec98eaf6-34
0.280
MAK-UNK-3f402c2b-19
0.277
DAR-DIA-3e9bbd81-4
0.277
MAK-UNK-3f402c2b-28
0.277
MAK-UNK-3f402c2b-2
0.275
MAK-UNK-3f402c2b-12
0.275
SAD-SAT-5b1897b2-7
0.274
MAR-TRE-6a44bbf2-33
0.274
MAK-UNK-ec98eaf6-32
0.272
MAK-UNK-10799360-30
0.271
MAK-UNK-3e0761f8-5
0.271
MAK-UNK-90d0606b-8
0.271
MAK-UNK-10799360-34
0.270
TAM-UNI-d1c3dd9f-10
0.270
MAK-UNK-5d2caa6f-21
0.269
MAK-UNK-5d2caa6f-16
0.267
DAR-DIA-3e9bbd81-8
0.267
SAD-SAT-581007d4-10
0.267
MAK-UNK-3f402c2b-13
0.267
MAK-UNK-90d0606b-2
0.267
DAR-DIA-3e9bbd81-10
0.265
PEI-IMP-e4a008a2-1
0.265
MAK-UNK-3f402c2b-11
0.265
MAK-UNK-3e0761f8-1
0.262
MAK-UNK-bae89c02-3
0.261
MAK-UNK-3f402c2b-20
0.260
MAK-UNK-3f402c2b-17
0.260
DAV-CRI-3fe943ba-2
0.259
TAM-UNI-d1c3dd9f-8
0.256
DAR-DIA-caba39e3-10
0.254
MAK-UNK-3f402c2b-15
0.253
MAK-UNK-df1a028e-1
0.252
MAC-MCD-4707377b-1
0.252
MAK-UNK-90d0606b-3
0.252
MAK-UNK-bae89c02-4
0.252
NIR-THE-c331be7a-5
0.250
MIH-UNI-e573136b-12
0.250
TAM-UNI-d1c3dd9f-3
0.250
MAK-UNK-3f402c2b-5
0.250
MAK-UNK-3e0761f8-4
0.250
MAK-UNK-3e0761f8-3
0.248
MAK-UNK-5d2caa6f-17
0.248
MAK-UNK-3f402c2b-9
0.248
SAD-SAT-3a925b8b-8
0.248
MAK-UNK-3f402c2b-4
0.247
MAK-UNK-af83ef51-17
0.246
DAR-DIA-3e9bbd81-9
0.246
MAK-UNK-5d2caa6f-14
0.246
MAK-UNK-5d2caa6f-13
0.246
MAK-UNK-10799360-17
0.246
MAK-UNK-5d2caa6f-15
0.246
MAK-UNK-90d0606b-10
0.245
MAK-UNK-5d2caa6f-1
0.245
MAK-UNK-3f402c2b-3
0.245
MAK-UNK-3f402c2b-29
0.244
SAD-SAT-581007d4-9
0.243
MAK-UNK-df1a028e-7
0.243
MAK-UNK-df1a028e-9
0.242
MAK-UNK-10799360-29
0.242
MAK-UNK-5d2caa6f-11
0.242
MAK-UNK-10799360-3
0.241
MAK-UNK-10799360-5
0.241
MAR-TRE-6a44bbf2-49
0.240
MAR-TRE-6a44bbf2-31
0.240
MAK-UNK-7c9d1431-5
0.240
MAK-UNK-7c9d1431-7
0.240
MAK-UNK-5d2caa6f-3
0.240
MAK-UNK-10799360-20
0.239
JOK-SYG-6ec557d2-1
0.239
DAR-DIA-caba39e3-7
0.239
DAR-DIA-caba39e3-6
0.238
MAK-UNK-bae89c02-2
0.237
SAL-INS-1ea6d4ee-1
0.237
DAR-DIA-3e9bbd81-3
0.236
MAK-UNK-90d0606b-9
0.236
TAM-UNI-d1c3dd9f-5
0.236