Molecular Properties | |
SMILES: | CN1CCN(C(=O)Nc2c(Cl)[nH]c3ncccc23)CC1 |
MW: | 293.758 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 64.26 |
cLogP: | 1.9956 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
SID-ELM-1f105489-12
0.652
SID-ELM-1f105489-15
0.583
SID-ELM-1f105489-16
0.521
SID-ELM-1f105489-6
0.494
SID-ELM-1f105489-9
0.493
SID-ELM-1f105489-3
0.443
NIC-BIO-174c9b04-1
0.425
SID-ELM-1f105489-14
0.423
ALE-HEI-f28a35b5-16
0.423
SID-ELM-1f105489-13
0.407
AAR-POS-d2a4d1df-20
0.400
NIC-BIO-5044b423-1
0.398
IND-SYN-6c8299e8-4
0.383
SID-ELM-1f105489-11
0.380
ALE-HEI-f28a35b5-17
0.378
SCO-VAN-260d9628-1
0.378
NIC-BIO-174c9b04-2
0.378
AAR-POS-0daf6b7e-44
0.377
NIC-BIO-2722da07-1
0.371
NIC-BIO-174c9b04-3
0.352
SID-ELM-1f105489-10
0.337
NIC-BIO-2722da07-2
0.337
SID-ELM-1f105489-8
0.333
SID-ELM-1f105489-7
0.322
NIC-BIO-29f4a211-1
0.311
MAK-UNK-10572812-14
0.304
NIC-BIO-25446079-3
0.303
NIC-BIO-ec630548-1
0.301
MAK-UNK-10572812-3
0.298
MAR-TRE-3159af1a-36
0.297
IND-SYN-3aa4e743-1
0.287
IND-SYN-6c8299e8-5
0.287
MAR-TRE-3159af1a-67
0.287
NIC-BIO-29f4a211-2
0.287
NIC-BIO-ec630548-2
0.284
SID-ELM-1f105489-2
0.282
MAR-TRE-3159af1a-99
0.282
NIC-BIO-ec630548-4
0.281
SID-ELM-1f105489-5
0.279
NIC-BIO-ec630548-3
0.278
MAR-TRE-3159af1a-84
0.278
NIC-BIO-25446079-4
0.278
NIC-BIO-3276ca7f-1
0.274
DAR-DIA-03336633-8
0.273
SID-ELM-1f105489-1
0.273
MAR-TRE-3159af1a-19
0.271
BAR-COM-4e090d3a-24
0.271
NIC-BIO-25446079-2
0.270
MAR-TRE-3159af1a-75
0.269
MAR-TRE-3159af1a-43
0.269
SAD-SAT-f25ee457-5
0.269
NIC-BIO-96ee2ca4-1
0.267
SID-ELM-1f105489-4
0.267
MAR-TRE-67513f76-5
0.266
MAR-TRE-3159af1a-65
0.266
MAR-TRE-3159af1a-69
0.265
SAD-SAT-2fd372d1-7
0.265
DAR-DIA-23aa0b97-12
0.264
MAR-TRE-4b834d9a-32
0.263
MAR-TRE-3159af1a-35
0.263
JOR-UNI-2fc98d0b-11
0.263
JOR-UNI-2fc98d0b-5
0.263
JOH-IMS-62aeb97d-4
0.263
NIC-BIO-f814dd3d-1
0.262
SAD-SAT-f25ee457-10
0.262
JOR-UNI-61e7b1d5-15
0.262
TRY-UNI-1fd04853-11
0.261
DAR-DIA-03336633-12
0.260
MAR-TRE-3159af1a-2
0.260
JOR-UNI-61e7b1d5-29
0.259
MAR-TRE-3159af1a-42
0.258
MAR-TRE-3159af1a-90
0.258
MAR-TRE-3159af1a-40
0.258
MAR-TRE-3e4e6814-10
0.258
SAD-SAT-135344c3-7
0.258
COM-UCB-1ef4e90e-19
0.257
MAR-TRE-3159af1a-1
0.257
MAR-TRE-3159af1a-61
0.255
MAK-UNK-de8f6d00-7
0.255
AHN-SAT-de2502ba-7
0.253
MAR-UCB-195bc32d-13
0.253
MIC-UNK-a28eba03-2
0.253
ANU-UNK-2781581f-3
0.253
NIC-BIO-3276ca7f-5
0.253
MAT-POS-b5746674-99
0.252
MAR-TRE-3159af1a-32
0.252
MAR-TRE-3159af1a-24
0.252
ANO-UNK-b6bccdab-1
0.252
JON-UIO-066ce08b-4
0.250
MAR-TRE-3159af1a-74
0.250
SWA-SYN-6423ea73-10
0.250
SWA-SYN-d2e6fa14-9
0.250
RED-RED-10c9212c-31
0.250
JOH-IMS-cc7b4c67-1
0.250
AAR-POS-d2a4d1df-6
0.250
MAK-UNK-de8f6d00-3
0.250
GAB-FRA-261eb2a6-1
0.250
MAK-UNK-10572812-9
0.248
MAK-UNK-de8f6d00-1
0.248
MAR-TRE-3159af1a-45
0.248