Molecular Properties | |
SMILES: | CN1CCN(C(=O)Nc2c(Cl)[nH]c3ncncc23)CC1 |
MW: | 294.746 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 77.15 |
cLogP: | 1.3906 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
SID-ELM-1f105489-13
0.652
SID-ELM-1f105489-17
0.583
SID-ELM-1f105489-10
0.500
SID-ELM-1f105489-7
0.494
SID-ELM-1f105489-16
0.480
SID-ELM-1f105489-4
0.425
SID-ELM-1f105489-12
0.407
SID-ELM-1f105489-1
0.400
SID-ELM-1f105489-14
0.388
ALE-HEI-f28a35b5-16
0.365
ALE-HEI-f28a35b5-17
0.360
SCO-VAN-260d9628-1
0.360
SID-ELM-1f105489-11
0.346
AAR-POS-0daf6b7e-44
0.338
SID-ELM-1f105489-9
0.333
SID-ELM-1f105489-6
0.322
SID-ELM-1f105489-8
0.302
SID-ELM-1f105489-3
0.281
SID-ELM-1f105489-5
0.264
AAR-POS-d2a4d1df-20
0.258
COM-UCB-1ef4e90e-16
0.255
MIC-UNK-a28eba03-2
0.253
JAR-KUA-672ec752-14
0.253
SID-ELM-1f105489-2
0.253
NIC-BIO-174c9b04-1
0.253
DAR-DIA-03336633-8
0.248
MAR-TRE-be9ff7d2-55
0.247
IND-SYN-6c8299e8-4
0.244
NIC-BIO-174c9b04-2
0.242
MAR-TRE-67513f76-65
0.236
MAR-TRE-be9ff7d2-56
0.235
AAR-POS-d2a4d1df-6
0.235
NIC-BIO-5044b423-1
0.234
SID-ELM-8b394441-19
0.234
AND-WAB-bfd3647f-2
0.234
BEN-DND-6de5dfa0-24
0.233
BAR-COM-4e090d3a-24
0.232
NIC-BIO-2722da07-1
0.232
ALE-SYG-bac15da4-1
0.232
JAR-KUA-672ec752-3
0.232
SWA-SYN-d2e6fa14-1
0.229
SWA-SYN-6423ea73-1
0.229
MAR-TRE-85681e92-52
0.229
SID-ELM-8b394441-8
0.228
NAU-LAT-ec9c7557-3
0.228
NIC-BIO-174c9b04-3
0.227
MAK-UNK-7264f48c-5
0.227
MAR-TRE-c317dd82-85
0.227
MAR-TRE-a9136c7b-76
0.227
MAR-TRE-799db12b-14
0.224
EDJ-MED-487c5e9f-10
0.224
MAR-TRE-be9ff7d2-92
0.223
LEO-EVO-0d2ed6fc-7
0.222
AHN-SAT-de2502ba-7
0.222
COM-UCB-8c7d23dc-8
0.222
JOH-IMS-cc7b4c67-1
0.221
BEN-DND-09b88bf4-5
0.221
BEN-DND-93268d01-9
0.221
MAR-TRE-c317dd82-96
0.221
SAD-SAT-2fd372d1-7
0.221
SAD-SAT-135344c3-7
0.220
MAR-TRE-87acfbcc-11
0.220
PET-UNK-b38839dc-27
0.218
PET-UNK-f9b7ae87-4
0.218
JOH-IMS-62aeb97d-4
0.217
MAR-SOS-82e3a7c7-4
0.216
MAR-SOS-c7881798-7
0.216
VIK-SYN-bf9c9ac8-2
0.216
JOR-UNI-61e7b1d5-15
0.216
BEN-DND-6de5dfa0-18
0.216
MAR-TRE-66ac689e-66
0.215
LON-WEI-4d77710c-45
0.214
MAT-POS-b5746674-36
0.214
MAR-TRE-799db12b-8
0.214
NEH-REV-107bcf72-2
0.214
LON-WEI-5e7d1b3e-45
0.214
JOR-UNI-61e7b1d5-29
0.214
ANU-UNK-2781581f-3
0.214
NIC-BIO-2722da07-2
0.213
PET-UNK-6e612674-2
0.213
PET-UNK-6e612674-10
0.213
MAR-TRE-e82e6c98-31
0.213
RED-SAT-26a928c9-1
0.212
ANU-UNK-2781581f-1
0.212
NAU-LAT-a5c7d7cb-2
0.212
MIC-UNK-5a93dd5f-10
0.212
MIC-UNK-6ab519a7-1
0.212
NIR-THE-590dedc7-1
0.212
MAR-TRE-3e4e6814-22
0.212
RAF-UNK-9885c2f5-2
0.212
MAR-TRE-be9ff7d2-16
0.211
MAR-TRE-e82e6c98-65
0.211
NIC-UNI-f08e2453-1
0.211
NIC-UNI-f08e2453-2
0.211
LEO-EVO-0d2ed6fc-1
0.210
MAR-TRE-be9ff7d2-36
0.209
MAR-TRE-e82e6c98-16
0.209
SID-ELM-b654bfa2-16
0.208
MAK-UNK-10572812-16
0.208
DAR-DIA-ecdbc7dd-7
0.208