Molecular Properties | |
SMILES: | N#Cc1nccc(NC(=O)CCl)n1 |
MW: | 196.02 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 78.67 |
cLogP: | 0.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z3766263329 |
Enamine Extended REAL: | m_270062____16414050____8147258 |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-10
0.521
MAK-UNK-ed378e62-9
0.500
MAK-UNK-72659d64-4
0.491
MAK-UNK-72659d64-5
0.446
MAK-UNK-72659d64-3
0.423
MAK-UNK-72659d64-17
0.415
MAK-UNK-72659d64-9
0.414
MAK-UNK-ed378e62-21
0.414
MAK-UNK-ed378e62-14
0.411
MAK-UNK-72659d64-8
0.400
AAR-RCN-37d0aa00-1
0.391
MAK-UNK-ed378e62-24
0.390
MAK-UNK-ed378e62-3
0.383
MAK-UNK-849bee6c-2
0.358
MAK-UNK-849bee6c-3
0.358
MAK-UNK-6ca90168-29
0.356
MAK-UNK-ed378e62-1
0.354
MAK-UNK-72659d64-2
0.351
MAK-UNK-72659d64-12
0.351
MAK-UNK-72659d64-11
0.349
MAK-UNK-ed378e62-5
0.346
RAF-SAT-b3ff87a1-4
0.333
MAK-UNK-ed378e62-7
0.321
MAK-UNK-72659d64-18
0.317
AAR-POS-0daf6b7e-20
0.316
MAK-UNK-72659d64-15
0.313
MAK-UNK-ed378e62-18
0.305
MAK-UNK-ca11b4f7-1
0.304
MAK-UNK-849bee6c-25
0.295
MAK-UNK-72659d64-14
0.293
MAK-UNK-f983951f-23
0.293
MAK-UNK-72659d64-7
0.293
MAK-UNK-849bee6c-6
0.293
MAK-UNK-ed378e62-12
0.290
SAD-SAT-6b5a89f0-8
0.288
MAK-UNK-6ca90168-26
0.288
MAK-UNK-ed378e62-11
0.288
YOI-UNK-4c10088f-1
0.288
MAK-UNK-72659d64-13
0.288
YOI-UNK-144e4c15-1
0.286
MAK-UNK-ed378e62-17
0.283
MAK-UNK-849bee6c-8
0.282
MAK-UNK-ed378e62-19
0.281
MAK-UNK-849bee6c-13
0.279
MAK-UNK-849bee6c-17
0.279
SAD-SAT-6b5a89f0-10
0.278
MAK-UNK-849bee6c-15
0.276
MAK-UNK-72659d64-16
0.274
MAK-UNK-72659d64-6
0.274
MAR-TRE-6a44bbf2-40
0.270
YOI-UNK-144e4c15-2
0.270
MAK-UNK-ed378e62-16
0.270
MAK-UNK-ed378e62-13
0.270
YOI-UNK-4c10088f-2
0.270
MAK-UNK-849bee6c-26
0.269
SAD-SAT-6b5a89f0-1
0.268
AAR-POS-f650c5f2-3
0.267
MAK-UNK-ed378e62-15
0.266
JOO-IND-b2fae8f6-1
0.265
MAK-UNK-ed378e62-20
0.262
MAK-UNK-ed378e62-23
0.262
AGN-NEW-c7b24fe3-4
0.260
MAR-TRE-6a44bbf2-88
0.259
MAK-UNK-ed378e62-22
0.258
MAK-UNK-ed378e62-25
0.258
MAR-TRE-6a44bbf2-55
0.254
AAR-POS-0daf6b7e-4
0.254
MAR-TRE-a3327163-43
0.253
PRO-INS-c91ddbbd-1
0.250
MAT-POS-e10a589d-4
0.250
JOH-UNI-3fc3434e-9
0.247
JOH-UNI-ee5ed7c8-9
0.247
MAR-TRE-a3327163-20
0.247
JOH-UNI-c7afdb96-15
0.246
MAR-TRE-6c5ef77a-74
0.244
YOI-UNK-97f54f0c-1
0.243
MAK-UNK-9955b1f3-11
0.242
MAT-POS-199e2e7c-2
0.241
ALV-UNI-7ff1a6f9-45
0.240
AGN-NEW-c7b24fe3-3
0.240
MAK-UNK-6ca90168-23
0.240
LON-WEI-120e5cf5-13
0.240
PET-SGC-cb62ec31-1
0.239
EDJ-MED-49816e9b-2
0.239
MAK-UNK-849bee6c-7
0.237
SAD-SAT-6b5a89f0-3
0.237
MAK-UNK-987948f6-7
0.237
MAK-UNK-f983951f-17
0.236
MED-COV-4280ac29-20
0.235
JOH-UNI-3fc3434e-8
0.235
JOH-UNI-ee5ed7c8-8
0.235
MAR-TRE-0fda4e82-1
0.235
DAR-DIA-842b4336-19
0.235
ASH-SAT-43770c7d-9
0.234
MAR-TRE-a3327163-15
0.234
MAR-TRE-a3327163-29
0.234
MAK-UNK-f983951f-13
0.233
MAR-TRE-6a44bbf2-57
0.233
MAR-TRE-1c920f6f-75
0.233
MAT-POS-fa06b69f-2
0.233