Molecular Properties | |
SMILES: | N[C@H]1CCC[C@H](C(=O)Nc2ccc(NC(=O)C3CC3)nc2)C1 |
MW: | 302.17 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 97.11 |
cLogP: | 1.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-d0525fbf-53
0.609
MAR-TRE-04c86cea-48
0.585
MAR-TRE-4b834d9a-56
0.581
MAR-TRE-04c86cea-85
0.529
MAR-TRE-4b834d9a-48
0.500
MAR-TRE-d0525fbf-63
0.493
MAR-TRE-4b834d9a-100
0.486
MAR-TRE-04c86cea-84
0.471
MAR-TRE-f6f5f473-63
0.452
MAR-TRE-f6f5f473-39
0.442
MAR-TRE-04c86cea-19
0.434
MAR-TRE-f6f5f473-80
0.434
MAR-TRE-f6f5f473-37
0.429
MAR-TRE-b77b7921-75
0.418
MAR-TRE-b77b7921-97
0.405
MAR-TRE-67513f76-75
0.366
MAR-TRE-9c797165-44
0.342
MAR-TRE-f6f5f473-87
0.333
MED-UNK-cd1acb4a-1
0.327
MAR-TRE-7f7bb9f0-31
0.326
MAR-TRE-67513f76-57
0.321
MAR-TRE-74c6519b-91
0.321
MAK-UNK-c97f7c8f-1
0.321
MED-UNK-40f14d64-1
0.320
MAR-TRE-7f7bb9f0-54
0.317
AAR-POS-5507155c-2
0.317
LON-WEI-120e5cf5-1
0.317
AAR-POS-f650c5f2-4
0.317
LON-WEI-120e5cf5-17
0.317
MAR-TRE-7f7bb9f0-86
0.316
MAR-TRE-9c797165-77
0.312
MAR-TRE-04c86cea-79
0.310
MAR-TRE-04c86cea-40
0.309
MAR-TRE-7f7bb9f0-26
0.307
MAR-TRE-7f7bb9f0-67
0.302
MAR-TRE-9c797165-84
0.300
MAK-UNK-c97f7c8f-2
0.296
MED-UNK-91aaf3ac-1
0.296
MAR-TRE-67513f76-96
0.291
MAR-TRE-4b834d9a-65
0.286
MAR-TRE-3e4e6814-96
0.282
MAR-TRE-3e4e6814-23
0.281
MAR-TRE-67513f76-17
0.277
MAR-TRE-9c797165-4
0.277
MED-UNK-8b115213-1
0.274
MAR-TRE-f6f5f473-74
0.273
MAR-TRE-04c86cea-31
0.272
MAR-TRE-3e4e6814-58
0.271
AAR-POS-0daf6b7e-41
0.270
MAR-TRE-f6f5f473-77
0.270
MAR-TRE-7f7bb9f0-21
0.270
MAR-TRE-74c6519b-50
0.270
MAR-TRE-d0525fbf-87
0.268
MAR-TRE-2fd8122f-27
0.267
MAR-TRE-04c86cea-62
0.266
JAG-SYN-9c2cd0bd-7
0.266
MAR-TRE-f6f5f473-9
0.264
MAR-TRE-9c797165-86
0.262
MAR-TRE-9c797165-75
0.259
MAR-TRE-2fd8122f-18
0.259
MAR-TRE-74c6519b-24
0.258
MAR-TRE-04c86cea-44
0.258
MAR-TRE-4b834d9a-58
0.257
MAR-TRE-74c6519b-53
0.256
MAR-TRE-67513f76-3
0.256
SAD-SAT-89668ff1-7
0.256
MAR-TRE-9c797165-13
0.256
LON-WEI-120e5cf5-11
0.253
MAR-TRE-9d18ae8c-70
0.253
MAR-TRE-67513f76-31
0.253
MAK-UNK-90d0606b-10
0.253
MAR-TRE-2fd8122f-8
0.253
MAR-TRE-f6f5f473-76
0.253
MAR-TRE-b77b7921-63
0.250
WIL-UNI-5578df48-17
0.250
KEN-ILL-f8fa3277-2
0.250
MAR-TRE-7f7bb9f0-13
0.247
MAR-TRE-04c86cea-35
0.247
MAR-TRE-74c6519b-29
0.247
MAR-TRE-2fd8122f-13
0.247
MAR-TRE-b77b7921-71
0.247
AAR-UNI-c25c2f1e-3
0.247
MAR-TRE-d0525fbf-90
0.247
MAR-TRE-04c86cea-49
0.245
ALE-HEI-f28a35b5-8
0.244
MAR-TRE-04c86cea-46
0.242
MAR-TRE-a9136c7b-99
0.242
MAR-TRE-67513f76-85
0.241
MAR-TRE-d0525fbf-50
0.240
MAR-TRE-b77b7921-72
0.240
MAR-TRE-9c797165-79
0.239
COM-UCB-1ef4e90e-5
0.239
MAR-TRE-3e4e6814-52
0.239
MAR-TRE-f6f5f473-28
0.238
ROD-LAS-d5538ff9-3
0.237
MAR-TRE-04c86cea-17
0.237
MAR-TRE-9d18ae8c-34
0.237
MAR-TRE-67513f76-14
0.235
MAK-UNK-30aad1f1-17
0.235
MAR-TRE-67513f76-90
0.235