Molecular Properties | |
SMILES: | O=C(O)CCCc1cncc(NC(=O)Nc2cc(O)ccc2C2CN(C(=O)CCl)CCN2)c1 |
MW: | 475.933 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 5 |
Rotatable Bonds: | 8 |
TPSA: | 143.89 |
cLogP: | 2.5502 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
JAN-LUN-04aedcc0-2
0.615
JAN-LUN-04aedcc0-7
0.611
JAN-LUN-8953ce76-7
0.500
JAN-LUN-8953ce76-1
0.500
JAN-LUN-3e0f9c09-4
0.500
JAN-LUN-3e0f9c09-1
0.434
JAN-LUN-8953ce76-6
0.434
JAN-LUN-8953ce76-4
0.420
JAN-LUN-3e0f9c09-2
0.420
JAN-LUN-04aedcc0-4
0.344
JAN-LUN-04aedcc0-5
0.344
JAN-LUN-04aedcc0-3
0.341
JAN-LUN-3e0f9c09-3
0.330
JAN-LUN-04aedcc0-6
0.321
MIH-UNI-e573136b-10
0.284
ABB-MCD-f549d731-1
0.267
MAK-UNK-30aad1f1-3
0.261
THO-SYG-f9b2970d-6
0.260
HAR-NEW-ca1d46ce-2
0.260
LON-WEI-120e5cf5-11
0.259
SAD-SAT-89668ff1-3
0.256
WAR-XCH-6eb0722e-2
0.256
AVI-UNI-70b60925-2
0.254
AVI-UNI-70b60925-1
0.254
NIR-THE-0d6461ce-6
0.250
MAC-MCD-76766525-1
0.248
THO-SYG-f9b2970d-2
0.248
NEH-REV-107bcf72-2
0.248
TAT-ENA-80bfd3e5-10
0.248
MAK-UNK-af83ef51-26
0.246
JOR-UNI-61e7b1d5-1
0.243
JOH-IMS-62aeb97d-4
0.243
WAR-XCH-6eb0722e-3
0.242
WAR-XCH-6eb0722e-4
0.242
FRA-FAC-9ed5a63a-6
0.241
DUN-NEW-f8ce3686-22
0.241
MAR-TRE-9d18ae8c-89
0.241
DAN-MCD-02570321-1
0.240
WES-WAB-2b40d25a-1
0.240
PAU-WEI-b9b69149-4
0.240
DAN-MCD-68a9aade-1
0.240
DAN-MCD-a37c31cb-1
0.240
DAN-MCD-e5161b06-1
0.240
SEL-UNI-49ab05bd-4
0.240
NIR-THE-0d6461ce-7
0.239
WAR-XCH-6eb0722e-6
0.238
WES-WAB-6f418dc2-1
0.237
BEN-BAS-26f6b627-1
0.237
MAK-UNK-5d2caa6f-1
0.237
WIL-UNI-5578df48-12
0.236
DAN-MCD-c163c0bb-1
0.236
JAN-LUN-3e0f9c09-5
0.236
JAN-LUN-8953ce76-2
0.236
PAU-UNI-b33c5197-1
0.235
DAR-DIA-23aa0b97-10
0.235
MAK-UNK-10dfa458-40
0.234
CHR-SOS-363cfb78-2
0.234
THO-SYG-f9b2970d-1
0.233
NIM-UNI-6eebfcd4-2
0.233
BAR-COM-21d20d65-1
0.233
SEL-UNI-49ab05bd-6
0.233
MAK-UNK-c749d764-13
0.232
DAN-MCD-0c04f563-1
0.232
BEN-DND-76ad4ac9-7
0.231
IAN-BAS-0bc4bd27-1
0.231
LON-WEI-120e5cf5-2
0.231
SAD-SAT-135344c3-7
0.231
STU-CHA-09bcc2f6-1
0.231
MAR-TRE-2fd8122f-77
0.231
MAK-UNK-b2c98f02-4
0.230
LON-WEI-120e5cf5-19
0.230
SEL-UNI-49ab05bd-5
0.230
WAR-XCH-6eb0722e-1
0.230
WIL-UNI-5578df48-30
0.230
JOR-UNI-61e7b1d5-13
0.229
ALB-THE-e2bfce8e-1
0.229
BAR-COM-5694a99d-1
0.229
JOE-SYG-2c9a1216-1
0.229
BAR-COM-21d20d65-5
0.229
MAK-UNK-af83ef51-17
0.228
WAR-XCH-bdd24732-19
0.228
SAD-SAT-135344c3-8
0.228
NAU-LAT-b7d8c353-1
0.228
MAK-UNK-af83ef51-23
0.227
SIM-SYN-7db9eb24-1
0.227
BAR-COM-21d20d65-3
0.227
DAN-LON-a5fc619e-7
0.227
WAR-XCH-bdd24732-16
0.227
WIL-UNI-5578df48-26
0.226
STE-KUL-2e0d2e88-6
0.226
DAR-DIA-03336633-11
0.226
SID-ELM-2583a2cd-10
0.225
BAR-COM-21d20d65-2
0.225
JAN-LUN-8953ce76-3
0.225
JAN-LUN-3e0f9c09-6
0.225
MAK-UNK-009ebe36-8
0.225
MED-COV-4280ac29-34
0.225
ALP-POS-e980f4ea-31
0.224
CHR-SOS-363cfb78-1
0.224
LON-WEI-120e5cf5-4
0.224