Molecular Properties | |
SMILES: | CC(C)CN1C(=O)[C@@H](CC(=O)N2CCOCC2)Sc2ncccc21 |
MW: | 349.15 |
Fraction sp3: | 0.59 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 62.74 |
cLogP: | 1.79 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-67513f76-50
0.570
MAR-TRE-67513f76-5
0.554
MAR-TRE-7f7bb9f0-60
0.481
MAR-TRE-67513f76-40
0.456
MAR-TRE-9c797165-54
0.432
MAR-TRE-7f7bb9f0-51
0.427
MAR-TRE-67513f76-10
0.426
MAR-TRE-67513f76-34
0.419
MAR-TRE-9c797165-53
0.402
MAR-TRE-9c797165-65
0.398
MAR-TRE-9c797165-72
0.361
MAR-TRE-d0525fbf-74
0.356
MAR-TRE-7f7bb9f0-36
0.355
MAR-TRE-9c797165-6
0.340
MAR-TRE-9c797165-81
0.337
MAR-TRE-67513f76-19
0.333
MAR-TRE-d0525fbf-96
0.333
MAR-TRE-4b834d9a-85
0.330
MAR-TRE-9c797165-29
0.324
MAR-TRE-7f7bb9f0-29
0.320
MAR-TRE-b77b7921-99
0.314
MAR-TRE-9c797165-64
0.303
MAR-TRE-67513f76-29
0.286
MAR-TRE-7f7bb9f0-65
0.282
MAR-TRE-d0525fbf-52
0.270
GIA-UNK-3f36037a-6
0.267
MAR-TRE-04c86cea-47
0.264
MAR-TRE-d0525fbf-36
0.263
GIA-UNK-3f36037a-2
0.261
MAR-TRE-9c797165-50
0.261
MAR-TRE-74c6519b-93
0.261
MAR-TRE-f5c2d31c-64
0.260
MAK-UNK-f983951f-21
0.257
MAR-TRE-74c6519b-98
0.255
MAR-TRE-7f7bb9f0-88
0.252
MAR-TRE-4b834d9a-70
0.252
MAR-TRE-4b834d9a-68
0.252
MAR-TRE-9c797165-11
0.250
MAR-TRE-67513f76-39
0.250
MAR-TRE-d0525fbf-69
0.250
MAR-TRE-4b834d9a-94
0.250
MAR-TRE-f5c2d31c-53
0.250
MAR-TRE-d0525fbf-80
0.248
ALP-POS-0c0a3b93-1
0.248
MAR-TRE-dab8f6ea-45
0.248
MAR-TRE-dab8f6ea-41
0.245
GIA-UNK-3f36037a-1
0.244
MAR-TRE-9c797165-61
0.243
MAR-TRE-dab8f6ea-26
0.243
MAR-TRE-dab8f6ea-37
0.243
PET-SGC-cb83a00c-1
0.242
GIA-UNK-30c7cb75-2
0.242
MAR-TRE-4b834d9a-53
0.241
LUI-IND-a1be81af-2
0.240
MAR-TRE-dab8f6ea-47
0.240
MAR-TRE-8190bb11-7
0.240
DAV-UNK-d94803a2-1
0.239
MAR-TRE-3e4e6814-17
0.239
MAR-TRE-3e4e6814-84
0.239
MAR-TRE-4b834d9a-66
0.237
MAR-TRE-c317dd82-96
0.237
LON-WEI-4d77710c-16
0.236
MAT-POS-2492181e-11
0.236
MAT-POS-b5746674-109
0.236
LON-WEI-5e7d1b3e-16
0.236
ALP-POS-84f19ead-2
0.235
MAR-TRE-c8530538-2
0.235
MAK-UNK-f983951f-6
0.234
DUN-NEW-f8ce3686-13
0.234
MAR-TRE-dab8f6ea-42
0.233
MAR-TRE-dab8f6ea-30
0.232
MAR-TRE-9c797165-69
0.232
MAR-TRE-d0525fbf-51
0.231
MAR-TRE-3e4e6814-35
0.231
DAV-IMP-59dd6621-14
0.231
JUL-TUD-06b2044f-154
0.231
MAK-UNK-be3f299e-5
0.230
MAR-TRE-9c797165-40
0.229
MAK-UNK-987948f6-10
0.229
MAR-TRE-d0525fbf-81
0.229
THO-SYG-f9b2970d-2
0.229
KAT-FAI-9b65c29e-2
0.228
MAR-TRE-3e4e6814-97
0.228
JOR-UNI-2fc98d0b-1
0.227
DAN-MCD-3ec20f87-1
0.226
MAR-TRE-dab8f6ea-20
0.225
SCO-CSI-e30c12ee-1
0.223
GIA-UNK-20b63697-2
0.222
MAR-TRE-1c920f6f-10
0.222
MAR-TRE-3e4e6814-92
0.222
MAR-TRE-dab8f6ea-16
0.221
MAR-TRE-dab8f6ea-33
0.221
MAR-TRE-c317dd82-7
0.221
MAR-TRE-fd17a9b8-68
0.220
MAR-TRE-dab8f6ea-25
0.219
TAM-UNI-d1c3dd9f-21
0.219
GIA-UNK-d2defdc3-6
0.219
MAR-TRE-dab8f6ea-29
0.219
MAR-TRE-74c6519b-71
0.218
MAR-TRE-3159af1a-66
0.218