Molecular Properties | |
SMILES: | O=C(CCl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 |
MW: | 295.1 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 38.77 |
cLogP: | 2.75 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-7c9d1431-2
0.395
MAR-TRE-6a44bbf2-36
0.395
MAR-TRE-6a44bbf2-17
0.375
SAD-SAT-f2e2579e-7
0.366
MAR-TRE-6a44bbf2-82
0.358
MAK-UNK-7c9d1431-16
0.325
MAR-TRE-6a44bbf2-54
0.325
MAK-UNK-7c9d1431-1
0.306
MAR-TRE-6a44bbf2-38
0.306
SAD-SAT-f2e2579e-2
0.300
MAK-UNK-7c9d1431-18
0.294
MAR-TRE-6a44bbf2-72
0.286
NIM-UNI-43fe0159-3
0.282
MAK-UNK-69bf97dd-2
0.280
MAR-TRE-a9136c7b-74
0.278
MAK-UNK-7c9d1431-14
0.277
MAR-TRE-6a44bbf2-74
0.276
NIM-UNI-43fe0159-4
0.275
NIM-UNI-43fe0159-2
0.272
MAK-UNK-f983951f-12
0.270
AAR-POS-d2a4d1df-33
0.268
MAR-TRE-6a44bbf2-39
0.268
NIM-UNI-43fe0159-9
0.265
MAR-TRE-2fd8122f-33
0.265
NIM-UNI-43fe0159-12
0.264
JOK-SYG-8934678c-1
0.264
MAT-POS-b5746674-88
0.264
NIM-UNI-43fe0159-1
0.263
NIM-UNI-43fe0159-5
0.263
JON-UNI-93996c9d-10
0.262
MAR-TRE-6a44bbf2-6
0.261
MAR-TRE-6a44bbf2-94
0.259
NIM-UNI-43fe0159-11
0.259
MAK-UNK-f983951f-27
0.257
MAK-UNK-704ed37c-2
0.256
NIM-UNI-43fe0159-6
0.256
MAR-TRE-6a44bbf2-50
0.256
MAK-UNK-3e0761f8-8
0.256
JUL-TUD-06b2044f-154
0.255
BEN-DND-76ad4ac9-4
0.253
NIM-UNI-43fe0159-10
0.253
TIM-UNK-6bd61028-1
0.253
MAR-TRE-66ac689e-19
0.253
COM-UCB-1ef4e90e-11
0.252
NIM-UNI-43fe0159-7
0.250
MIK-MCD-8542a490-1
0.250
MAK-UNK-3f402c2b-10
0.250
EDG-MED-ba1ac7b9-12
0.248
EDJ-MED-d203f206-16
0.248
DAN-LON-a5fc619e-5
0.247
MAT-POS-162a9720-6
0.247
UNK-UNK-2ede4078-35
0.245
JOH-MR_-42fa5481-11
0.245
DUN-NEW-f8ce3686-3
0.244
MAK-UNK-3d7e3904-2
0.244
IND-SYN-6c8299e8-1
0.244
MAK-UNK-704ed37c-5
0.244
MAR-TRE-04c86cea-47
0.243
FOC-CAS-e3a94da8-2
0.242
MAK-UNK-f983951f-21
0.242
JAG-UCB-cedd89ab-4
0.242
CHR-MCD-2f2b3cc8-1
0.242
JON-MCD-47e58de1-1
0.242
MIH-UNI-e573136b-7
0.242
NIM-UNI-43fe0159-8
0.241
MAK-UNK-3f402c2b-6
0.241
LON-WEI-120e5cf5-5
0.241
MAK-UNK-3f402c2b-25
0.241
MAK-UNK-6c8f5f75-2
0.240
JOH-UNI-e19b918c-10
0.240
JON-UNI-93996c9d-3
0.240
NAU-LAT-64f4b287-4
0.239
SAD-SAT-6b5a89f0-2
0.239
MAK-UNK-4b073b5c-19
0.239
NAU-LAT-28398581-8
0.238
MAK-UNK-6ca90168-11
0.237
NAU-LAT-28398581-7
0.237
EDG-MED-ba1ac7b9-11
0.237
TIM-UNK-6bd61028-2
0.237
MED-COV-4280ac29-4
0.237
SAD-SAT-65574d3f-5
0.236
GIA-UNK-20b63697-2
0.236
MAC-MCD-4707377b-1
0.236
MED-COV-4280ac29-29
0.235
JOH-MR_-42fa5481-9
0.235
MAR-LAB-efb042c5-3
0.235
NAU-LAT-64f4b287-5
0.233
SAD-SAT-d8079f6f-2
0.233
SEL-UNI-cd366922-5
0.233
IND-SYN-6c8299e8-6
0.233
FOC-CAS-e3a94da8-1
0.232
AAR-POS-d2a4d1df-31
0.232
SEA-TRI-8252c13b-1
0.232
NIM-UNI-13494739-5
0.232
MAT-POS-b5746674-52
0.231
IFT-SAT-023cfffe-5
0.231
MIH-UNI-e573136b-2
0.231
MAR-TRE-6a44bbf2-2
0.231
SAD-SAT-3a925b8b-4
0.231
MAK-UNK-10799360-19
0.231