Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c(C(=O)NCCc3c[nH]c4ccc(F)cc34)[nH]c3ncccc23)CC1 |
MW: | 462.529 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.12 |
cLogP: | 2.4723 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-10572812-15
0.615
MAK-UNK-10572812-16
0.595
MAK-UNK-10572812-3
0.579
MAK-UNK-10572812-17
0.562
MAK-UNK-10572812-9
0.559
MAK-UNK-10572812-8
0.539
MAK-UNK-10572812-7
0.512
SID-ELM-1f105489-3
0.490
MAK-UNK-10572812-6
0.488
MAK-UNK-37f1d6fa-7
0.474
SID-ELM-1f105489-6
0.470
NAU-LAT-81109c57-8
0.469
NAU-LAT-81109c57-4
0.462
AAR-POS-d2a4d1df-2
0.453
MAK-UNK-37f1d6fa-6
0.441
MAK-UNK-be5ffcbc-8
0.439
MAK-UNK-be5ffcbc-1
0.438
MAK-UNK-37f1d6fa-1
0.433
MAK-UNK-be5ffcbc-7
0.426
MAK-UNK-10572812-2
0.424
NAU-LAT-81109c57-1
0.422
MAK-UNK-37f1d6fa-2
0.421
MAK-UNK-10572812-10
0.421
MAK-UNK-37f1d6fa-4
0.417
AAR-POS-d2a4d1df-20
0.412
MAK-UNK-10572812-1
0.409
NAU-LAT-81109c57-2
0.407
MAK-UNK-be5ffcbc-3
0.405
MAK-UNK-37f1d6fa-3
0.395
FRA-LAB-04e32718-1
0.384
MAK-UNK-10572812-13
0.383
MAK-UNK-10572812-12
0.378
MAK-UNK-176ca439-5
0.377
MAK-UNK-72b7ba6b-1
0.377
IND-SYN-6c8299e8-4
0.371
SAN-PRS-3c4a6997-4
0.366
MAR-TRE-7f7bb9f0-83
0.353
SID-ELM-1f105489-5
0.352
MAK-UNK-10dfa458-15
0.349
MAK-UNK-10572812-4
0.348
MAR-TRE-92684b97-67
0.345
MAK-UNK-10572812-11
0.344
SID-ELM-1f105489-4
0.339
SID-ELM-1f105489-12
0.339
SID-ELM-1f105489-8
0.333
ABI-SAT-30e287c1-2
0.333
NIC-UNI-f08e2453-1
0.333
MAR-TRE-3724962b-29
0.328
NIC-BIO-174c9b04-1
0.327
SID-ELM-1f105489-7
0.324
MAR-TRE-3159af1a-53
0.322
MAR-TRE-be9ff7d2-73
0.322
NIC-BIO-5044b423-1
0.321
SID-ELM-1f105489-9
0.321
NAU-LAT-81109c57-7
0.320
JAR-IMP-ed466bb3-19
0.318
SID-ELM-1f105489-2
0.318
JOH-MSK-a63bdd1d-4
0.317
MAR-UCB-195bc32d-16
0.317
DAR-DIA-eace69ff-36
0.316
IND-SYN-6c8299e8-5
0.309
IND-SYN-3aa4e743-1
0.309
JOH-MSK-35a8745a-1
0.308
ALE-ACE-2610ee4d-1
0.308
MAR-UCB-195bc32d-21
0.308
MAR-TRE-04c86cea-51
0.308
SAD-SAT-f25ee457-10
0.306
NIC-BIO-174c9b04-2
0.306
SWA-SYN-6423ea73-4
0.306
SWA-SYN-d2e6fa14-4
0.306
NIC-BIO-2722da07-1
0.305
MAR-TRE-4f39ef4a-26
0.305
NIC-BIO-29f4a211-1
0.304
NIC-BIO-2722da07-2
0.304
SID-ELM-1f105489-17
0.304
NIC-BIO-ec630548-4
0.303
SAN-PRS-3c4a6997-1
0.302
MAR-TRE-fd17a9b8-41
0.302
JOH-MSK-a63bdd1d-6
0.301
MAK-UNK-176ca439-7
0.298
NAU-LAT-81109c57-6
0.298
SWA-SYN-d2e6fa14-9
0.298
SWA-SYN-6423ea73-10
0.298
SID-ELM-1f105489-1
0.297
NIC-BIO-29f4a211-2
0.297
MAK-UNK-10572812-5
0.295
JOH-MSK-a63bdd1d-5
0.295
SAD-SAT-135344c3-7
0.294
NIC-BIO-ec630548-2
0.294
DAR-DIA-03336633-12
0.294
MAT-GIT-deadff56-1
0.294
JOH-MEM-4bb7e4cc-1
0.294
DUN-NEW-f8ce3686-12
0.294
MAR-TRE-85681e92-60
0.293
NIC-BIO-174c9b04-3
0.291
MAR-TRE-4f781e27-82
0.291
MAR-TRE-e82e6c98-51
0.291
MAR-TRE-3159af1a-3
0.290
MAK-UNK-de8f6d00-2
0.290
NIC-BIO-25446079-4
0.289