Molecular Properties | |
SMILES: | N#Cc1nccc(CNC(=O)CCl)n1 |
MW: | 210.03 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 0.2 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-12
0.558
MAK-UNK-72659d64-8
0.492
MAK-UNK-72659d64-1
0.491
MAK-UNK-72659d64-2
0.446
MAK-UNK-72659d64-11
0.435
MAK-UNK-72659d64-18
0.407
MAK-UNK-72659d64-5
0.393
MAK-UNK-ed378e62-19
0.387
MAK-UNK-f983951f-23
0.386
MAK-UNK-849bee6c-8
0.378
MAK-UNK-ed378e62-12
0.377
MAK-UNK-72659d64-3
0.368
MAK-UNK-72659d64-9
0.365
SAD-SAT-1b030f84-2
0.362
AAR-RCN-37d0aa00-1
0.360
MAK-UNK-ed378e62-3
0.353
MAK-UNK-ed378e62-9
0.352
MAK-UNK-72659d64-10
0.351
MAK-UNK-72659d64-17
0.339
MAK-UNK-ed378e62-1
0.327
YOI-UNK-4c10088f-2
0.312
MAK-UNK-f983951f-26
0.311
MAK-UNK-849bee6c-3
0.310
MAK-UNK-849bee6c-13
0.310
MAK-UNK-849bee6c-6
0.310
MAK-UNK-ed378e62-24
0.303
MAK-UNK-ed378e62-21
0.303
MAK-UNK-ed378e62-5
0.298
MAK-UNK-ed378e62-7
0.298
MAK-UNK-72659d64-16
0.297
MAK-UNK-ed378e62-14
0.297
MAK-UNK-72659d64-15
0.296
MAR-TRE-6a44bbf2-67
0.296
MAK-UNK-849bee6c-2
0.295
MAK-UNK-849bee6c-17
0.295
MAK-UNK-6ca90168-29
0.292
MAK-UNK-849bee6c-15
0.292
MAR-TRE-6a44bbf2-73
0.290
SAD-SAT-65574d3f-2
0.290
MAK-UNK-72659d64-13
0.290
MAK-UNK-ed378e62-17
0.286
MAK-UNK-ed378e62-18
0.286
MAK-UNK-f983951f-11
0.279
AAR-POS-0daf6b7e-20
0.274
MAK-UNK-72659d64-14
0.274
MAK-UNK-72659d64-7
0.274
RAF-SAT-b3ff87a1-4
0.273
MAK-UNK-ed378e62-16
0.273
PET-SGC-cb83a00c-1
0.270
MAK-UNK-ed378e62-11
0.270
JOH-UNI-c7afdb96-15
0.269
MAR-TRE-6a44bbf2-23
0.267
TRY-UNI-1fd04853-12
0.265
MAK-UNK-ed378e62-20
0.265
MAK-UNK-ed378e62-23
0.265
MAR-TRE-6a44bbf2-70
0.264
AGN-NEW-c7b24fe3-4
0.263
MAK-UNK-ed378e62-22
0.261
MAK-UNK-ed378e62-25
0.261
MAR-TRE-6a44bbf2-34
0.260
NIR-THE-99f25457-3
0.260
TRY-UNI-1fd04853-10
0.259
MAK-UNK-849bee6c-26
0.258
MAK-UNK-72659d64-6
0.258
AAR-POS-d2a4d1df-31
0.257
MAR-TRE-6c5ef77a-57
0.254
MAK-UNK-ed378e62-13
0.254
JOH-UNI-ee5ed7c8-8
0.253
JOH-UNI-3fc3434e-8
0.253
MAK-UNK-849bee6c-4
0.253
GIA-UNK-3f36037a-5
0.250
MAR-TRE-1c920f6f-91
0.250
JOO-IND-b2fae8f6-1
0.250
MAK-UNK-ed378e62-15
0.250
SAD-SAT-65574d3f-8
0.247
AHN-SAT-de2502ba-12
0.247
MAR-TRE-6a44bbf2-20
0.247
VIK-SYN-9a3d118a-8
0.247
MAK-UNK-9955b1f3-11
0.246
AAR-POS-f650c5f2-3
0.245
AGN-NEW-c7b24fe3-3
0.244
MAK-UNK-ca11b4f7-1
0.242
MAK-UNK-849bee6c-7
0.241
MAR-TRE-6a44bbf2-40
0.241
DAR-DIA-842b4336-14
0.240
MAK-UNK-849bee6c-16
0.239
MAK-UNK-849bee6c-12
0.239
MAK-UNK-f983951f-13
0.238
MAK-UNK-849bee6c-9
0.238
MAR-TRE-a78003aa-46
0.237
SAD-SAT-6b5a89f0-10
0.237
MAR-TRE-6a44bbf2-30
0.237
YOI-UNK-144e4c15-1
0.237
AHN-SAT-de2502ba-2
0.237
PRO-INS-c91ddbbd-1
0.236
JOH-UNI-ee5ed7c8-9
0.236
JOH-UNI-3fc3434e-9
0.236
TRY-UNI-1fd04853-6
0.235
MAR-TRE-a3327163-20
0.235
MAR-TRE-a3327163-36
0.233