Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)N2CCN(c3cnc(CN4CCC(O)CC4)cn3)CC2)cc1 |
MW: | 425.533 |
Fraction sp3: | 0.52 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 82.03 |
cLogP: | 1.46932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-7
MAK-UNK-acefcb18-20
0.605
AAR-POS-d2a4d1df-6
0.462
MAK-UNK-acefcb18-22
0.457
MAK-UNK-acefcb18-23
0.427
MAK-UNK-acefcb18-24
0.418
JOH-IMS-cc7b4c67-4
0.408
JOH-IMS-cc7b4c67-6
0.392
JOH-IMS-cc7b4c67-2
0.371
PET-SGC-fedd1f79-1
0.361
WIL-WAB-1289c0dd-1
0.355
MAK-UNK-acefcb18-29
0.352
JOH-IMS-cc7b4c67-8
0.346
SAD-SAT-cefd50cc-7
0.324
JOH-IMS-cc7b4c67-1
0.322
MAR-UNI-9d4da90d-5
0.315
PET-SGC-ae7b447e-1
0.312
MAK-UNK-acefcb18-17
0.308
MAK-UNK-acefcb18-16
0.306
MAK-UNK-e4a48a85-3
0.298
MAR-TRE-c8530538-93
0.298
MAK-UNK-e4a48a85-6
0.296
MAK-UNK-acefcb18-18
0.294
CAM-STU-3ef21e73-1
0.293
PET-SGC-cb62ec31-1
0.290
SAM-UNK-2684b532-8
0.288
RAF-UNK-9885c2f5-2
0.284
MAK-UNK-acefcb18-26
0.277
MAK-UNK-e4a48a85-19
0.275
CES-WAB-18e74d70-2
0.271
MAT-POS-b5746674-74
0.270
SAD-SAT-5b1897b2-1
0.270
JAN-UNI-2e92c4b1-3
0.268
PET-SGC-39d74636-2
0.268
MAK-UNK-e4a48a85-18
0.268
MAK-UNK-acefcb18-30
0.266
WAR-XCH-b6889685-15
0.265
MAK-UNK-af83ef51-33
0.264
SAD-SAT-f25ee457-4
0.264
TRY-UNI-9f475305-1
0.263
MAK-UNK-acefcb18-25
0.263
MAR-UNI-9d4da90d-6
0.263
MAK-UNK-acefcb18-27
0.261
MAT-POS-b5746674-72
0.260
MAK-UNK-e4a48a85-4
0.259
SAM-UNK-2684b532-9
0.259
MAK-UNK-e4a48a85-17
0.258
MAK-UNK-acefcb18-19
0.258
TRY-UNI-1fd04853-4
0.255
MAK-UNK-e4a48a85-26
0.255
NAU-LAT-ec9c7557-3
0.255
NAU-LAT-42d4957e-1
0.254
MAK-UNK-e4a48a85-5
0.254
MAK-UNK-e4a48a85-14
0.253
RAF-UNK-9885c2f5-1
0.252
SEB-EST-28768d06-1
0.250
DUN-NEW-f8ce3686-11
0.250
NIM-UNI-310206f0-44
0.248
MAR-TRE-3e4e6814-13
0.246
MAK-UNK-1cb0e944-10
0.245
MAR-TRE-7f7bb9f0-58
0.243
MAK-UNK-5e88aa6a-1
0.242
AAR-POS-0daf6b7e-18
0.242
SAD-SAT-5b1897b2-3
0.242
AAR-POS-d2a4d1df-7
0.241
BEN-VAN-c986b20b-18
0.241
KAD-UNI-877d7bed-8
0.241
MAK-UNK-1cb0e944-12
0.240
PET-SGC-39d74636-1
0.240
MAK-UNK-7c9d1431-21
0.240
SAM-UNK-903735bd-1
0.239
MAK-UNK-5e88aa6a-5
0.238
ANT-STE-dbb91f63-1
0.238
MAK-UNK-1cb0e944-3
0.238
MAR-TRE-6a44bbf2-41
0.237
MAR-TRE-c8530538-9
0.236
MAK-UNK-10dfa458-7
0.234
SAM-UNK-83e03154-1
0.232
MAK-UNK-de8f6d00-8
0.231
MIH-UNI-e573136b-7
0.231
MAK-UNK-e4a48a85-7
0.230
MAK-UNK-e4a48a85-12
0.229
MAR-TRE-74c6519b-96
0.229
VIK-SYN-9a3d118a-8
0.228
JOH-UNK-14e6adc5-7
0.228
MAK-UNK-31051d4e-1
0.227
MAR-TRE-dab8f6ea-45
0.226
MAR-TRE-d0525fbf-84
0.226
DRR-IMP-38dce17f-5
0.226
MAK-UNK-acefcb18-28
0.225
MAR-TRE-3e4e6814-10
0.225
TRI-UNI-97428359-2
0.225
MAK-UNK-10dfa458-38
0.225
SAM-UNK-2684b532-10
0.225
MAT-POS-ea426761-34
0.225
YOI-UNK-090ea88a-1
0.224
MAK-UNK-1cb0e944-2
0.224
MAK-UNK-5e88aa6a-4
0.224
NAU-LAT-42d4957e-2
0.224
MAR-LAB-ca4662a6-2
0.223
MAK-UNK-5e88aa6a-8
0.223