Molecular Properties | |
SMILES: | C[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)CN(C)c1ccccc1 |
MW: | 365.21 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 52.65 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAK-UNK-c8c8f7e2-4
0.422
MAK-UNK-c8c8f7e2-2
0.422
MAK-UNK-7a704a63-11
0.422
MAK-UNK-c8c8f7e2-5
0.414
MAK-UNK-1e8f9e3c-2
0.404
MAK-UNK-c8c8f7e2-8
0.382
MAK-UNK-1e8f9e3c-3
0.378
MAK-UNK-c8c8f7e2-15
0.376
MAK-UNK-c8c8f7e2-20
0.376
MAK-UNK-7a704a63-8
0.376
MAK-UNK-c8c8f7e2-3
0.372
MAK-UNK-c8c8f7e2-6
0.371
MAK-UNK-c8c8f7e2-17
0.367
MAK-UNK-6435e6c2-4
0.365
MAK-UNK-c8c8f7e2-18
0.363
MAK-UNK-c8c8f7e2-1
0.360
MAK-UNK-1e8f9e3c-1
0.360
MAK-UNK-9159f8ed-6
0.360
AAR-POS-0daf6b7e-11
0.360
LON-WEI-8f408cad-1
0.360
MAK-UNK-7a704a63-9
0.360
MAK-UNK-7a704a63-10
0.360
MAR-TRE-799db12b-69
0.354
MAK-UNK-c8c8f7e2-33
0.352
MAK-UNK-c8c8f7e2-34
0.352
MAK-UNK-c8c8f7e2-16
0.348
MAK-UNK-c8c8f7e2-7
0.348
MAR-TRE-799db12b-49
0.347
MAK-UNK-1e8f9e3c-5
0.337
MAK-UNK-10dfa458-25
0.333
MAK-UNK-1e8f9e3c-6
0.330
MAK-UNK-c8c8f7e2-31
0.330
MAK-UNK-10dfa458-3
0.330
MAK-UNK-10dfa458-22
0.330
MAK-UNK-1e8f9e3c-4
0.324
MAK-UNK-9159f8ed-3
0.324
MAK-UNK-c8c8f7e2-32
0.323
MAK-UNK-9159f8ed-1
0.318
MAK-UNK-9159f8ed-7
0.314
AAR-UNI-c25c2f1e-61
0.308
MAR-TRE-9d18ae8c-65
0.308
MAK-UNK-9159f8ed-4
0.304
DAV-CRI-8c8dd668-1
0.304
MAK-UNK-9159f8ed-2
0.303
MAK-UNK-9159f8ed-5
0.303
BEN-VAN-5787f7d3-11
0.303
MAR-TRE-2fd8122f-39
0.301
MAK-UNK-7a704a63-18
0.297
MAK-UNK-c8c8f7e2-41
0.297
MAK-UNK-902cc841-3
0.296
MAR-TRE-67513f76-4
0.295
BEN-VAN-5787f7d3-1
0.294
MAK-UNK-7a704a63-7
0.293
MAK-UNK-c8c8f7e2-12
0.293
MAK-UNK-10dfa458-23
0.291
MAK-UNK-902cc841-4
0.288
MAK-UNK-7a704a63-24
0.287
MAK-UNK-7a704a63-20
0.286
MAK-UNK-10dfa458-32
0.282
DOU-UNK-b5326f8f-9
0.281
BEN-VAN-5787f7d3-10
0.273
BAR-COM-0f94fc3d-53
0.270
BEN-VAN-5787f7d3-12
0.270
MAK-UNK-c8c8f7e2-11
0.269
MAK-UNK-7a704a63-6
0.269
MAK-UNK-7a704a63-23
0.263
ALP-POS-95f71980-10
0.263
UNK-CYC-68f84b31-6
0.263
AAR-UNI-c25c2f1e-93
0.259
MAK-UNK-7a704a63-19
0.258
MAK-UNK-c8c8f7e2-30
0.258
MAK-UNK-c8c8f7e2-40
0.258
MAK-UNK-7a704a63-17
0.258
MAK-UNK-c8c8f7e2-36
0.258
UNK-CYC-68f84b31-34
0.257
KOV-VNK-5e1a909f-8
0.256
MAK-UNK-c8c8f7e2-9
0.255
MAK-UNK-7a704a63-4
0.255
MAR-TRE-7f7bb9f0-54
0.255
UNK-CYC-68f84b31-81
0.255
UNK-CYC-68f84b31-70
0.254
BEN-DND-7e92b6ca-3
0.252
MAR-TRE-7f7bb9f0-31
0.252
COM-UCB-1ef4e90e-23
0.252
MAK-UNK-c8c8f7e2-38
0.250
SAD-SAT-d8079f6f-10
0.250
UNK-CYC-68f84b31-62
0.250
DAR-DIA-5a24bef0-17
0.248
DOU-UNK-b5326f8f-7
0.245
UNK-CYC-68f84b31-60
0.243
MAK-UNK-c8c8f7e2-39
0.242
MAK-UNK-7a704a63-16
0.242
UNK-CYC-68f84b31-73
0.242
UNK-CYC-68f84b31-41
0.241
MAR-TRE-6a44bbf2-71
0.240
BAR-COM-4e090d3a-60
0.239
UNK-CYC-68f84b31-48
0.237
MAK-UNK-c8c8f7e2-37
0.237
MAK-UNK-7a704a63-21
0.237
UNK-CYC-68f84b31-55
0.237