Molecular Properties | |
SMILES: | O=C(O)c1n[nH]c(Cl)c1CCc1ccnc(-c2cnccc2CO)c1 |
MW: | 358.785 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 111.99 |
cLogP: | 2.4958 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
MUS-SCH-c2f96c06-2
0.659
MUS-SCH-c2f96c06-3
0.628
KRI-LIF-2e3dfaa5-1
0.543
MUS-SCH-c2f96c06-4
0.543
WAR-XCH-b0339bbe-15
0.407
WAR-XCH-79d12f6e-13
0.354
WAR-XCH-79d12f6e-15
0.299
MUS-SCH-c2f96c06-11
0.299
MUS-SCH-c2f96c06-14
0.287
MUS-SCH-c2f96c06-6
0.287
MUS-SCH-c2f96c06-5
0.277
MUS-SCH-c2f96c06-12
0.266
MUS-SCH-c2f96c06-9
0.257
THO-SYG-cc9e9a11-6
0.255
MUS-SCH-c2f96c06-10
0.252
MUS-SCH-c2f96c06-13
0.250
WAR-XCH-bdd24732-22
0.250
MUS-SCH-c2f96c06-8
0.250
WAR-XCH-bdd24732-11
0.236
JAG-UCB-a3ef7265-3
0.236
MUS-SCH-c2f96c06-7
0.234
DAR-DIA-03336633-6
0.231
BAR-COM-0f94fc3d-40
0.228
DAR-DIA-2b784ede-47
0.228
DAR-DIA-2b784ede-48
0.228
LON-WEI-0a73fcb8-7
0.227
WAR-XCH-bdd24732-21
0.224
DAR-DIA-2b784ede-45
0.224
THO-SYG-cc9e9a11-8
0.223
MAK-UNK-f2409524-1
0.222
NAU-LAT-64f4b287-9
0.222
BAR-COM-ebf5acce-8
0.221
WAR-XCH-bdd24732-34
0.221
CHA-KIN-6a7389f6-1
0.221
MAR-TRE-66ac689e-81
0.220
JUL-TUD-06b2044f-126
0.217
CHA-KIN-ceadbd93-2
0.216
ERI-WAB-56c49854-1
0.215
BEN-DND-61647d40-17
0.214
BRU-THA-92256091-8
0.213
BEN-VAN-5787f7d3-14
0.213
DAR-DIA-23aa0b97-16
0.213
BEN-DND-6de5dfa0-27
0.212
MAT-POS-bb423b95-3
0.212
ALP-POS-0c2c77e1-1
0.212
SAM-UNK-2684b532-14
0.212
WAR-XCH-bdd24732-12
0.211
BEN-VAN-5787f7d3-11
0.211
DRA-CSI-47e38074-11
0.210
CHO-MSK-6e55470f-6
0.210
JOO-PER-58e158bd-1
0.210
EDJ-MED-3c65e9ce-3
0.210
EDJ-MED-c8e7a002-16
0.210
JOR-UNI-2fc98d0b-9
0.208
BEN-DND-93268d01-9
0.208
BEN-DND-09b88bf4-5
0.208
MAR-TRE-be9ff7d2-84
0.208
JOH-UNI-a38a7bdd-3
0.208
BEN-DND-031a96cc-1
0.207
BAR-COM-ebf5acce-2
0.207
VLA-UCB-05e51b3f-3
0.207
ALP-POS-e980f4ea-28
0.207
DAR-DIA-2b784ede-43
0.206
MAR-TRE-66ac689e-48
0.206
BAR-COM-21d20d65-5
0.206
RAL-THA-6b94ceba-16
0.206
BEN-DND-09b88bf4-7
0.205
MAR-TRE-fd17a9b8-92
0.205
DAR-DIA-48c639f7-7
0.205
JOH-IMS-d6628593-3
0.204
EDG-MED-0da5ad92-8
0.204
TRY-UNI-2eddb1ff-2
0.204
MAR-TRE-66ac689e-43
0.204
MAR-TRE-4f781e27-92
0.204
MAR-TRE-799db12b-15
0.204
ANU-UNK-2781581f-2
0.204
JUL-TUD-06b2044f-57
0.204
JUL-TUD-06b2044f-78
0.204
BRU-THA-92256091-7
0.203
WIL-UNI-de614146-11
0.203
JAN-GHE-5a013bed-9
0.202
CHA-KIN-ceadbd93-3
0.202
BEN-DND-6de5dfa0-19
0.202
MAR-TRE-8190bb11-6
0.202
MAR-TRE-66ac689e-92
0.202
CHA-MCP-85291e1d-7
0.202
IAN-BAS-5ff43d1c-1
0.202
MAK-UNK-f203cb68-2
0.202
RAI-NOV-c18e0037-5
0.202
MAK-UNK-f203cb68-1
0.202
JOH-UNI-a38a7bdd-7
0.202
MAT-POS-f42f3716-8
0.202
RAL-THA-9041a04d-2
0.202
MAK-UNK-de8f6d00-7
0.202
ALP-POS-ced8ea4d-28
0.202
MAK-UNK-f2409524-36
0.202
ALP-POS-1245c3fa-1
0.200
WIL-UNI-a125ac6f-2
0.200
MAR-TRE-85681e92-42
0.200
ALF-EVA-46063d6e-6
0.200