Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2c(OCCN3CCOCC3)cccc2[C@H](c2cocc2Cl)C1 |
MW: | 439.339 |
Fraction sp3: | 0.48 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 55.15 |
cLogP: | 3.3569 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-14
SEA-TRI-fac72a44-1
0.677
SEA-TRI-078a8df3-1
0.528
SEA-TRI-67e8f1c7-1
0.381
MAK-UNK-10799360-23
0.375
MAK-UNK-5d2caa6f-2
0.355
TAM-UNI-d1c3dd9f-7
0.314
DAR-DIA-caba39e3-13
0.306
DAR-DIA-caba39e3-12
0.304
MAR-TRE-a3327163-4
0.301
MAR-TRE-a3327163-23
0.290
MIH-UNI-e573136b-10
0.286
NIR-THE-c331be7a-4
0.283
MIH-UNI-e573136b-9
0.283
AAR-POS-0daf6b7e-14
0.277
DAR-DIA-caba39e3-2
0.273
NIR-THE-c331be7a-1
0.271
MED-COV-4280ac29-22
0.270
DAR-DIA-caba39e3-9
0.265
JAN-LUN-04aedcc0-6
0.265
MAR-TRE-fd17a9b8-68
0.264
DAR-DIA-caba39e3-7
0.263
DAR-DIA-caba39e3-8
0.263
SAL-INS-1c7a5a55-2
0.260
BAR-COM-4e090d3a-54
0.260
NIR-THE-c331be7a-6
0.259
DAR-DIA-caba39e3-1
0.259
DAR-DIA-caba39e3-3
0.258
MAR-TRE-a3327163-64
0.257
THO-SYG-4e0386bb-1
0.257
AAR-POS-0daf6b7e-28
0.255
NIR-THE-c331be7a-2
0.255
SAL-INS-1c7a5a55-6
0.254
THO-SYG-4e0386bb-3
0.252
MAR-TRE-7f7bb9f0-71
0.252
DAR-DIA-caba39e3-5
0.250
DAR-DIA-caba39e3-6
0.250
TAM-UNI-d1c3dd9f-10
0.250
SAL-INS-1c7a5a55-1
0.248
TAM-UNI-d1c3dd9f-12
0.248
DAR-DIA-caba39e3-10
0.246
SAL-INS-1c7a5a55-4
0.246
SAL-INS-1c7a5a55-5
0.246
MAK-UNK-69bf97dd-6
0.246
DAR-DIA-caba39e3-4
0.244
DAR-DIA-caba39e3-11
0.244
DAR-DIA-43a5904b-16
0.244
SEA-TRI-98d2cd42-1
0.244
MAR-TRE-67513f76-19
0.244
NIM-UNI-310206f0-70
0.243
MAT-POS-7174c657-3
0.243
SAD-SAT-c989feaa-10
0.243
STE-KUL-2e0d2e88-1
0.243
MAR-LAB-ca4662a6-5
0.243
MAR-TRE-3e4e6814-25
0.242
BOG-INS-8ebd826b-1
0.242
DAV-CRI-3fe943ba-1
0.242
IND-SYN-6c8299e8-3
0.241
MAK-UNK-a7992eb3-2
0.240
SAL-INS-1c7a5a55-3
0.240
MAR-TRE-fd17a9b8-36
0.240
JAN-LUN-04aedcc0-5
0.239
MAR-TRE-c317dd82-69
0.239
MAK-UNK-3d7e3904-3
0.239
MAK-UNK-10799360-19
0.238
TAM-UNI-d1c3dd9f-8
0.238
SIM-SYN-7db9eb24-1
0.237
MAK-UNK-af83ef51-1
0.236
NIM-UNI-43fe0159-2
0.235
MAK-UNK-f983951f-21
0.235
JAR-IMP-ed466bb3-2
0.235
BOG-INS-da52c1c2-1
0.234
MAR-LAB-ff9967db-17
0.234
JOH-UNI-27ac80fd-8
0.234
PEI-IMP-ca0b2813-3
0.234
MAT-POS-2492181e-11
0.233
LON-WEI-5e7d1b3e-16
0.233
LON-WEI-4d77710c-16
0.233
MAT-POS-b5746674-109
0.233
THO-SYG-4e0386bb-2
0.233
MIH-UNI-e573136b-15
0.233
MAK-UNK-6ca90168-15
0.232
EDJ-MED-dfa1d800-2
0.232
GIA-UNK-20b63697-2
0.231
NIR-THE-c331be7a-5
0.231
MIH-UNI-e573136b-12
0.231
TAM-UNI-d1c3dd9f-3
0.231
BOG-INS-d6bb07dc-1
0.230
DAN-LON-a5fc619e-3
0.230
JOH-UNI-0e1753c1-5
0.230
SAD-SAT-3a925b8b-2
0.230
JOH-UNI-27ac80fd-4
0.230
DAV-CRI-3fe943ba-2
0.230
KAD-UNI-877d7bed-10
0.229
GIA-UNK-d2defdc3-6
0.229
AAR-POS-0daf6b7e-5
0.228
WAR-XCH-bdd24732-19
0.228
DAR-DIA-8e329c92-8
0.227
DAN-LON-a5fc619e-4
0.227
MAK-UNK-69bf97dd-3
0.227
SAD-SAT-3a925b8b-5
0.227