Molecular Properties | |
SMILES: | Cc1cccc(-c2cc(CN3CCC(O)CC3)nn2Cc2ccccc2)c1 |
MW: | 361.489 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 41.29 |
cLogP: | 3.86352 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-e4a48a85-6
0.613
MAK-UNK-e4a48a85-9
0.349
MAK-UNK-e4a48a85-11
0.333
MAK-UNK-e4a48a85-17
0.330
MAK-UNK-e4a48a85-3
0.330
JOO-PER-74f994a9-1
0.317
MAK-UNK-31051d4e-1
0.303
GIA-UNK-5ec6c2b8-3
0.300
CAM-STU-3ef21e73-1
0.299
AAR-POS-d2a4d1df-24
0.294
AAR-POS-d2a4d1df-7
0.291
GIA-UNK-595fac82-5
0.291
MAR-UNI-9d4da90d-5
0.291
MAK-UNK-af83ef51-11
0.287
MAK-UNK-31051d4e-2
0.287
SAM-UNK-2684b532-8
0.280
MAK-UNK-acefcb18-27
0.279
MAK-UNK-31051d4e-3
0.275
MAK-UNK-af83ef51-10
0.274
MAK-UNK-e4a48a85-10
0.274
JAN-UNI-2e92c4b1-3
0.272
PET-SGC-39d74636-2
0.272
MAR-UNI-9d4da90d-6
0.267
MAK-UNK-acefcb18-25
0.267
DUN-NEW-f8ce3686-11
0.265
RED-RED-10c9212c-24
0.263
STE-KUL-2e0d2e88-7
0.263
AAR-POS-0daf6b7e-26
0.262
MAK-UNK-6435e6c2-9
0.262
DRA-CSI-47e38074-1
0.260
MAK-UNK-acefcb18-21
0.259
MAK-UNK-3f402c2b-3
0.258
MIH-UNI-e573136b-7
0.258
TRY-UNI-1fd04853-4
0.258
SAD-SAT-7d5528d9-7
0.257
DAN-LON-a5fc619e-10
0.255
MAK-UNK-e4a48a85-7
0.255
KOV-VNK-5e1a909f-3
0.252
SAM-UNK-2684b532-9
0.250
JOH-IMS-7e73aedd-4
0.250
MAK-UNK-e4a48a85-16
0.248
DRA-CSI-0a78d9ba-1
0.248
SAD-SAT-7d5528d9-6
0.248
MAK-UNK-acefcb18-23
0.248
STU-CHA-0be58c98-1
0.248
SAD-SAT-7d5528d9-18
0.248
SAD-SAT-c989feaa-8
0.248
MAK-UNK-af83ef51-5
0.247
SAD-SAT-7d5528d9-21
0.247
MAK-UNK-e4a48a85-5
0.246
MAK-UNK-acefcb18-20
0.245
MAR-TRE-6a44bbf2-23
0.245
MED-COV-4280ac29-13
0.245
MAK-UNK-987948f6-1
0.243
JOR-UNI-2fc98d0b-3
0.243
SAD-SAT-7d5528d9-35
0.243
MAK-UNK-acefcb18-24
0.243
MAK-UNK-acefcb18-22
0.243
NAU-LAT-e1818702-9
0.242
PET-SGC-39d74636-1
0.242
AAR-POS-0daf6b7e-30
0.241
DRR-IMP-38dce17f-3
0.241
MAK-UNK-7c9d1431-24
0.241
JAR-KUA-8c13982c-13
0.240
MAK-UNK-af83ef51-6
0.239
SAD-SAT-7d5528d9-13
0.238
SAM-UNK-2684b532-10
0.238
SAD-SAT-1f400d17-1
0.238
DAN-LON-a5fc619e-5
0.238
IFT-SAT-023cfffe-2
0.237
MAK-UNK-1cb0e944-2
0.236
MAK-UNK-5e88aa6a-4
0.236
MAK-UNK-e4a48a85-18
0.236
MAK-UNK-e4a48a85-19
0.235
MED-COV-4280ac29-17
0.234
CES-WAB-18e74d70-2
0.234
MAK-UNK-31051d4e-5
0.234
JOH-UNI-23d9e1b1-1
0.233
MAK-UNK-a7992eb3-23
0.232
SAD-SAT-7d5528d9-24
0.232
TRY-UNI-9f475305-1
0.232
SAD-SAT-f25ee457-4
0.231
MAK-UNK-a7992eb3-10
0.231
MAT-POS-ea426761-98
0.231
MAK-UNK-ec98eaf6-46
0.231
NAU-LAT-e1818702-8
0.230
MAK-UNK-10dfa458-11
0.229
MAK-UNK-ec98eaf6-5
0.229
MAK-UNK-10799360-3
0.229
SAM-UNK-903735bd-1
0.229
KOV-VNK-5e1a909f-50
0.228
MAK-UNK-10dfa458-10
0.228
MAK-UNK-e4a48a85-15
0.228
MAK-UNK-1cb0e944-13
0.228
JOR-UNI-2fc98d0b-13
0.227
AAR-POS-0daf6b7e-29
0.226
JOH-IMS-1436231f-6
0.226
MAK-UNK-af83ef51-7
0.225
JOH-UNI-0e1753c1-2
0.225
HYO-UNK-49a60884-1
0.225