Molecular Properties | |
SMILES: | O=C(O)c1c[nH]c(Cl)c1CCc1ccnc(-c2cnccc2CO)c1 |
MW: | 357.797 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 99.1 |
cLogP: | 3.1008 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
MUS-SCH-c2f96c06-1
0.659
MUS-SCH-c2f96c06-3
0.608
MUS-SCH-c2f96c06-4
0.562
KRI-LIF-2e3dfaa5-1
0.562
WAR-XCH-b0339bbe-15
0.422
WAR-XCH-79d12f6e-13
0.354
MUS-SCH-c2f96c06-11
0.312
MUS-SCH-c2f96c06-5
0.303
MUS-SCH-c2f96c06-14
0.302
WAR-XCH-79d12f6e-15
0.299
MUS-SCH-c2f96c06-6
0.287
MUS-SCH-c2f96c06-9
0.282
MUS-SCH-c2f96c06-10
0.277
MUS-SCH-c2f96c06-13
0.277
MUS-SCH-c2f96c06-8
0.276
THO-SYG-cc9e9a11-6
0.267
MUS-SCH-c2f96c06-12
0.266
MUS-SCH-c2f96c06-7
0.257
WAR-XCH-bdd24732-22
0.239
DAR-DIA-23aa0b97-16
0.239
THO-SYG-cc9e9a11-8
0.234
CHR-SOS-7098f804-14
0.232
JAG-UCB-a3ef7265-3
0.224
WAR-XCH-bdd24732-11
0.224
WAR-XCH-bdd24732-21
0.224
NAU-LAT-64f4b287-9
0.222
JOH-UNI-abfda500-4
0.222
WAR-XCH-bdd24732-12
0.221
WAR-XCH-bdd24732-34
0.221
BAR-COM-21d20d65-5
0.217
LON-WEI-0a73fcb8-7
0.216
JAN-GHE-5a013bed-9
0.215
ERI-WAB-56c49854-1
0.215
MAR-TRE-04c86cea-51
0.214
RAL-THA-2d450e86-34
0.214
BRU-THA-92256091-7
0.213
BRU-THA-92256091-8
0.213
BEN-VAN-5787f7d3-14
0.213
MAK-UNK-f203cb68-2
0.213
IAN-BAS-5ff43d1c-1
0.213
BEN-DND-6de5dfa0-27
0.212
MAT-POS-bb423b95-3
0.212
DAR-DIA-23aa0b97-12
0.212
ALP-POS-0c2c77e1-1
0.212
MAK-UNK-de8f6d00-7
0.211
SAN-PRS-52b81272-2
0.211
BAR-COM-ebf5acce-8
0.211
BAR-COM-ebf5acce-5
0.211
EDG-MED-0da5ad92-2
0.211
DAR-DIA-03336633-6
0.210
THO-SYG-cc9e9a11-5
0.210
JON-UIO-314afe9d-6
0.210
CHR-SOS-7098f804-16
0.210
ERI-UCB-ce40166b-23
0.209
ALP-POS-90c18d1d-1
0.209
MAT-GIT-deadff56-4
0.209
SAD-SAT-24589cd1-4
0.209
JOR-UNI-2fc98d0b-9
0.208
ALP-POS-b0bc6a46-2
0.208
CHA-KIN-6a7389f6-1
0.208
ALP-POS-02c6a514-2
0.208
MAR-TRE-66ac689e-81
0.208
VLA-UNK-792b5d03-1
0.208
MAR-TRE-74c6519b-68
0.208
THO-SYG-cc9e9a11-2
0.208
BAR-COM-0f94fc3d-40
0.207
ALP-POS-e980f4ea-28
0.207
TET-ENA-9b1de71a-1
0.207
MAK-UNK-a7b37c5e-4
0.207
MAR-TRE-4f781e27-39
0.206
RAL-THA-6b94ceba-16
0.206
MAR-TRE-85681e92-12
0.206
MAR-TRE-4f781e27-23
0.206
COM-UCB-1ef4e90e-20
0.205
ALP-POS-e980f4ea-64
0.205
ALP-POS-780445ae-5
0.205
JOH-IMS-d6628593-3
0.204
CHA-KIN-ceadbd93-2
0.204
EDG-MED-0da5ad92-8
0.204
TRY-UNI-2eddb1ff-2
0.204
CHR-SOS-7098f804-13
0.204
ALP-POS-305f6ec3-38
0.203
WIL-UNI-de614146-11
0.203
BEN-DND-61647d40-17
0.202
BAR-COM-4e090d3a-11
0.202
WIL-UNI-5578df48-26
0.202
CHA-MCP-85291e1d-1
0.202
MAR-TRE-66ac689e-92
0.202
MAR-TRE-8190bb11-6
0.202
CHA-MCP-85291e1d-7
0.202
DAR-DIA-03336633-2
0.202
MAR-TRE-fd17a9b8-41
0.202
ALP-POS-ced8ea4d-28
0.202
MAK-UNK-37f1d6fa-4
0.202
MAK-UNK-f2409524-36
0.202
DAR-DIA-48c639f7-6
0.201
GIA-UNK-b9c616ea-7
0.200
MAK-UNK-f203cb68-4
0.200
ALP-POS-1245c3fa-1
0.200
ALP-POS-305f6ec3-20
0.200