Molecular Properties | |
SMILES: | N#Cc1ccc(C(=O)CCl)c2c1[nH]c(=O)n2-c1cccnc1 |
MW: | 312.716 |
Fraction sp3: | 0.07 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.54 |
cLogP: | 2.00698 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Filter64_halo_ketone_sulfone
Ketone
NIM-UNI-36e12f95-5
0.721
NIM-UNI-0ea3b7bf-1
0.644
NIM-UNI-0ea3b7bf-2
0.590
NIM-UNI-36e12f95-3
0.468
NIM-UNI-36e12f95-4
0.449
NIM-UNI-0ea3b7bf-4
0.419
NIM-UNI-7f77122c-1
0.375
NIM-UNI-0ea3b7bf-5
0.318
NIM-UNI-7f77122c-2
0.314
NIM-UNI-7f77122c-3
0.294
MAR-TRE-2fd8122f-68
0.290
MIC-UNK-df342a3f-1
0.287
ANT-DIA-3c79be55-2
0.282
MAK-UNK-6ca90168-29
0.275
PET-UNK-4dc48bbe-3
0.269
STE-UNK-28609fce-1
0.262
PET-UNK-94460c07-5
0.261
MAK-UNK-9e4a73aa-21
0.260
RAI-NOV-c18e0037-4
0.258
MAR-TRE-a3327163-5
0.257
RAI-NOV-c18e0037-7
0.256
PET-UNK-4dc48bbe-5
0.256
MAK-UNK-9e4a73aa-18
0.253
NIM-UNI-534877e5-2
0.252
DRR-IMP-38dce17f-4
0.250
MAK-UNK-ca11b4f7-1
0.250
MAK-UNK-9e4a73aa-17
0.250
PET-UNK-94460c07-6
0.247
NIM-UNI-36e12f95-1
0.247
DAR-DIA-bd041b9b-17
0.245
MIC-UNK-df342a3f-2
0.245
DAR-DIA-bd041b9b-29
0.245
MAK-UNK-9e4a73aa-10
0.245
MAK-UNK-2c1752f0-2
0.243
DAR-DIA-bd041b9b-26
0.242
LON-WEI-120e5cf5-11
0.242
DAR-DIA-842b4336-5
0.241
TAT-ENA-80bfd3e5-24
0.241
NIM-UNI-36e12f95-2
0.240
SAD-SAT-89668ff1-3
0.240
MAK-UNK-9e4a73aa-24
0.240
MAK-UNK-9e4a73aa-22
0.240
MAK-UNK-9e4a73aa-19
0.240
MAK-UNK-9e4a73aa-25
0.240
MAK-UNK-9e4a73aa-27
0.240
MAK-UNK-9e4a73aa-26
0.240
MAK-UNK-9e4a73aa-23
0.240
RAI-NOV-c18e0037-2
0.240
BEN-VAN-ed886787-13
0.239
STE-UNK-dfade101-1
0.238
MAK-UNK-9e4a73aa-36
0.238
DAR-DIA-fc970077-3
0.237
MAR-TRE-4f781e27-34
0.237
JAN-GHE-d851b096-5
0.237
MAK-UNK-9e4a73aa-12
0.237
MAK-UNK-10dfa458-35
0.237
EMI-TUK-b780fc43-1
0.237
EMI-TUK-6c6b371f-1
0.237
MAK-UNK-6ca90168-23
0.237
PET-UNK-4dc48bbe-7
0.237
DAR-DIA-842b4336-9
0.236
MAK-UNK-ca11b4f7-4
0.235
BEN-VAN-ed886787-11
0.235
MAK-UNK-9e4a73aa-8
0.235
MAK-UNK-9e4a73aa-7
0.235
MAK-UNK-9e4a73aa-11
0.234
NIM-UNI-534877e5-3
0.233
PET-UNK-4dc48bbe-9
0.233
MAR-TRE-2fd8122f-46
0.233
TAT-ENA-80bfd3e5-49
0.232
MAK-UNK-9e4a73aa-34
0.232
MAK-UNK-9e4a73aa-20
0.232
DAR-DIA-fc970077-1
0.232
MAR-TRE-b77b7921-87
0.232
MAR-TRE-c317dd82-70
0.232
MAR-TRE-6c5ef77a-93
0.232
WAR-XCH-eb7b662f-2
0.231
MAR-TRE-6a44bbf2-7
0.231
AAR-POS-d2a4d1df-37
0.231
DAR-DIA-23aa0b97-6
0.231
SAD-SAT-89668ff1-5
0.231
DAR-DIA-23aa0b97-4
0.231
MAR-TRE-2fd8122f-93
0.231
MAR-TRE-9c797165-7
0.231
MAK-UNK-10dfa458-24
0.230
RAI-NOV-c18e0037-3
0.230
MAR-TRE-74c6519b-18
0.230
MAR-TRE-8a25d817-48
0.230
DAR-DIA-fc970077-5
0.230
RAI-NOV-c18e0037-1
0.229
ERI-UCB-ce40166b-24
0.229
DAR-DIA-23aa0b97-17
0.228
ANN-UNI-26382800-5
0.228
MAR-TRE-3e4e6814-100
0.228
MAK-UNK-9e4a73aa-35
0.228
PEI-IMP-ca0b2813-1
0.227
SAD-SAT-24589cd1-4
0.226
WAR-XCH-79d12f6e-8
0.226
THO-SYG-f9b2970d-1
0.225
MAR-TRE-6c5ef77a-20
0.224