Molecular Properties | |
SMILES: | O=C(CCl)N1CCCC(n2cc(COCc3ccccc3)nn2)C1 |
MW: | 348.834 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 60.25 |
cLogP: | 2.3972 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
STE-KUL-2e0d2e88-4
0.561
STE-KUL-2e0d2e88-5
0.483
SAD-SAT-c989feaa-4
0.326
STE-KUL-2e0d2e88-7
0.323
IND-SYN-6c8299e8-1
0.319
GIA-UNK-c4371e97-2
0.314
PAU-WEI-c6d65c11-1
0.313
AAR-POS-d2a4d1df-30
0.302
TAT-ENA-80bfd3e5-13
0.302
SAD-SAT-65574d3f-6
0.300
DUN-NEW-f8ce3686-22
0.297
MAK-UNK-6c8f5f75-2
0.296
WAR-XCH-bdd24732-19
0.296
MAR-TRE-6a44bbf2-9
0.293
MAK-UNK-7c9d1431-24
0.293
MAK-UNK-ec98eaf6-11
0.291
STU-CHA-0be58c98-1
0.290
MAK-UNK-af83ef51-2
0.289
MAK-UNK-ec98eaf6-2
0.288
SAD-SAT-29425be4-29
0.288
SIM-SYN-7db9eb24-1
0.287
MED-COV-4280ac29-8
0.286
MAT-POS-ea426761-98
0.284
SAD-SAT-c989feaa-5
0.283
WAR-XCH-bdd24732-16
0.282
MAR-TRE-87acfbcc-18
0.282
GIA-UNK-c4371e97-1
0.281
SAL-INS-1c7a5a55-11
0.277
BEN-DND-76ad4ac9-9
0.277
GIA-UNK-c4371e97-3
0.276
ANT-STE-dbb91f63-3
0.275
DAN-LON-a5fc619e-1
0.274
MAK-UNK-ec98eaf6-58
0.274
DUN-NEW-f8ce3686-25
0.273
MED-COV-4280ac29-25
0.273
MAR-TRE-6a44bbf2-28
0.270
MAK-UNK-7c9d1431-23
0.270
MAK-UNK-10dfa458-39
0.269
MED-COV-4280ac29-27
0.267
YOI-UNK-12211982-4
0.267
YOI-UNK-a533afbc-4
0.267
MAK-UNK-15efde89-1
0.267
LON-WEI-120e5cf5-15
0.267
MAR-TRE-6a44bbf2-86
0.267
DUN-NEW-f8ce3686-3
0.265
MAK-UNK-a7992eb3-5
0.265
SAD-SAT-c989feaa-8
0.265
JOE-SYG-2c9a1216-1
0.265
AHN-SAT-de2502ba-7
0.264
SEL-UNI-49ab05bd-4
0.264
SEA-TRI-f744d433-1
0.264
MAR-TRE-8a25d817-31
0.263
MAK-UNK-af83ef51-1
0.263
SAD-SAT-c989feaa-1
0.262
MAK-UNK-6ca90168-11
0.261
MED-COV-4280ac29-17
0.261
DRA-CSI-47e38074-4
0.261
WAR-XCH-bdd24732-20
0.261
AHN-SAT-de2502ba-1
0.260
HAR-NEW-972ef1cc-1
0.260
GIA-UNK-20b63697-3
0.258
LON-WEI-120e5cf5-12
0.257
PAU-UNI-b33c5197-1
0.256
MAK-UNK-f983951f-13
0.256
AAR-POS-0daf6b7e-5
0.256
SEL-UNI-cd366922-5
0.255
DAN-LON-a5fc619e-3
0.255
PAU-WEI-b9b69149-1
0.255
WAR-XCH-79d12f6e-5
0.255
MAK-UNK-a7992eb3-8
0.255
MAK-UNK-ec98eaf6-5
0.254
GIA-UNK-20b63697-6
0.253
HAR-NEW-972ef1cc-2
0.252
SAD-SAT-29425be4-26
0.252
MAR-TRE-3159af1a-16
0.252
MAK-UNK-a7992eb3-2
0.252
MAK-UNK-ec98eaf6-57
0.250
LON-WEI-120e5cf5-5
0.250
MAK-UNK-7c9d1431-9
0.250
SAD-SAT-5b1897b2-3
0.250
ED_-GRI-5b13fbe2-32
0.250
ED_-GRI-5b13fbe2-64
0.250
JOH-UNI-27ac80fd-28
0.250
MAK-UNK-10799360-32
0.250
DAN-LON-a5fc619e-7
0.250
MAR-TRE-6a44bbf2-21
0.250
ED_-GRI-5b13fbe2-61
0.248
MAK-UNK-ec98eaf6-7
0.248
SAD-SAT-c989feaa-3
0.248
THO-SYG-4e0386bb-1
0.248
WAR-XCH-79d12f6e-7
0.247
MAK-UNK-987948f6-2
0.247
MAK-UNK-f983951f-5
0.247
CHO-MSK-6e55470f-15
0.246
MAK-UNK-a7992eb3-9
0.246
NAU-LAT-f723e322-5
0.245
ANT-STE-dbb91f63-1
0.245
GIA-UNK-20b63697-1
0.245
GIA-UNK-5ec6c2b8-3
0.244
SEL-UNI-49ab05bd-7
0.244