Molecular Properties | |
SMILES: | COCCn1cc(CCNC(=O)Nc2ccc(F)cc2F)c2cccnc21 |
MW: | 374.16 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 68.18 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9669173400 |
MolPort: | MolPort-010-902-531 |
dyes5A(27)
MAR-TRE-3159af1a-55
0.696
MAR-TRE-3159af1a-12
0.692
MAR-TRE-3159af1a-64
0.663
MAR-TRE-3159af1a-30
0.645
MAR-TRE-3159af1a-94
0.643
MAR-TRE-3159af1a-3
0.637
MAR-TRE-3159af1a-98
0.616
MAR-TRE-3159af1a-68
0.602
MAR-TRE-3159af1a-34
0.593
MAR-TRE-3159af1a-27
0.576
MAR-TRE-3159af1a-25
0.551
MAR-TRE-3159af1a-38
0.551
MAR-TRE-3159af1a-18
0.510
MAR-TRE-3159af1a-5
0.490
MAR-TRE-3159af1a-13
0.473
MAR-TRE-3159af1a-4
0.470
MAR-TRE-3159af1a-46
0.462
MAR-TRE-3159af1a-100
0.457
MAR-TRE-3159af1a-73
0.454
MAR-TRE-3159af1a-14
0.454
MAR-TRE-3159af1a-85
0.451
MAR-TRE-3159af1a-59
0.438
MAR-TRE-3159af1a-47
0.437
MAR-TRE-3159af1a-49
0.430
MAR-TRE-3159af1a-97
0.423
MAR-TRE-3159af1a-22
0.410
MAR-TRE-3159af1a-53
0.396
MAR-TRE-3159af1a-96
0.379
MAR-TRE-f5c2d31c-27
0.342
MAR-TRE-d0525fbf-15
0.303
LON-WEI-5e7d1b3e-48
0.294
LON-WEI-4d77710c-48
0.294
MAR-TRE-74c6519b-21
0.289
MAR-TRE-d0525fbf-17
0.288
MAR-TRE-7f7bb9f0-24
0.286
MAR-TRE-4b834d9a-41
0.286
MAR-TRE-7f7bb9f0-83
0.282
SAN-PRS-3c4a6997-3
0.280
MAK-UNK-10572812-14
0.275
JOH-UNI-c7afdb96-10
0.274
MAT-POS-2492181e-1
0.273
LON-WEI-5e7d1b3e-52
0.273
LON-WEI-4d77710c-52
0.273
MAR-TRE-9c797165-78
0.272
MAR-TRE-4b834d9a-2
0.272
DUN-NEW-f8ce3686-6
0.270
MAR-TRE-d0525fbf-4
0.270
MAR-TRE-4b834d9a-25
0.270
MAR-TRE-7f7bb9f0-39
0.269
MAR-TRE-4b834d9a-20
0.266
WIL-UNI-1faa9b10-26
0.266
FAR-UNI-736b943a-11
0.264
FAR-UNI-9a76d7b5-2
0.264
MAR-TRE-d0525fbf-2
0.264
BAR-COM-0f94fc3d-57
0.261
MAR-TRE-3159af1a-21
0.260
LON-WEI-5e7d1b3e-31
0.259
MAT-POS-2492181e-5
0.259
LON-WEI-4d77710c-31
0.259
MAR-TRE-3159af1a-57
0.259
LON-WEI-4d77710c-20
0.254
MAR-TRE-4b834d9a-21
0.254
LON-WEI-5e7d1b3e-20
0.254
MAR-TRE-9c797165-17
0.252
MAR-TRE-7f7bb9f0-70
0.252
MAR-TRE-f5c2d31c-85
0.252
MAR-TRE-04c86cea-88
0.252
MAK-UNK-10572812-3
0.252
LON-WEI-4d77710c-1
0.250
LON-WEI-4d77710c-51
0.250
DUN-NEW-f8ce3686-7
0.250
BRU-THA-92256091-23
0.250
MAR-TRE-9c797165-74
0.250
MAR-TRE-b77b7921-20
0.250
LON-WEI-5e7d1b3e-1
0.250
LON-WEI-5e7d1b3e-51
0.250
MAK-UNK-37f1d6fa-1
0.248
MAR-TRE-7f7bb9f0-5
0.248
MAR-TRE-d0525fbf-7
0.248
MAR-TRE-7f7bb9f0-7
0.248
MAR-TRE-d0525fbf-21
0.248
MAT-POS-2492181e-4
0.248
LON-WEI-4d77710c-17
0.248
LON-WEI-5e7d1b3e-17
0.248
MAT-POS-2492181e-3
0.248
ALP-POS-305f6ec3-53
0.246
MAK-UNK-10572812-7
0.246
MAK-UNK-10572812-9
0.246
MAR-TRE-d0525fbf-8
0.246
MAR-TRE-b77b7921-27
0.246
DUN-NEW-f8ce3686-8
0.246
BRU-THA-92256091-85
0.244
WIL-UNI-354943b6-14
0.244
MAR-TRE-d0525fbf-68
0.244
MAR-TRE-04c86cea-54
0.244
MAR-TRE-4b834d9a-11
0.244
MAR-TRE-3159af1a-1
0.244
MAR-TRE-4b834d9a-99
0.243
LON-WEI-4d77710c-49
0.243
LON-WEI-5e7d1b3e-49
0.243