Molecular Properties | |
SMILES: | NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1 |
MW: | 277.14 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 104.45 |
cLogP: | -0.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e86a56b5-19
0.746
MAR-TRE-e86a56b5-58
0.508
MAR-TRE-e86a56b5-56
0.492
MAR-TRE-e86a56b5-69
0.448
MAR-SOS-c7881798-3
0.402
MAR-SOS-82e3a7c7-2
0.402
MAR-TRE-e86a56b5-28
0.384
MAR-TRE-e86a56b5-62
0.379
MAR-TRE-e86a56b5-63
0.375
MAR-TRE-fffca54f-96
0.375
MAR-TRE-e86a56b5-47
0.368
MAR-TRE-e86a56b5-45
0.358
MAR-TRE-e86a56b5-31
0.352
MAR-TRE-85681e92-51
0.342
NIC-BIO-a68395b7-1
0.341
NIC-BIO-a68395b7-5
0.338
MAR-TRE-85681e92-70
0.333
VOL-CHA-d666e5ae-2
0.325
NIC-BIO-a68395b7-2
0.325
MAR-TRE-e86a56b5-55
0.325
MAR-TRE-e86a56b5-73
0.325
MAR-TRE-e86a56b5-67
0.324
VOL-CHA-d666e5ae-4
0.321
NIC-BIO-a68395b7-3
0.321
MAR-TRE-e86a56b5-66
0.320
MAR-TRE-e86a56b5-99
0.319
MAR-TRE-e86a56b5-46
0.312
AAR-POS-d2a4d1df-16
0.312
MAR-TRE-e86a56b5-15
0.307
TRY-UNI-9f475305-10
0.306
MAR-TRE-e86a56b5-98
0.306
TRY-UNI-9f475305-11
0.305
VOL-CHA-d666e5ae-1
0.301
NIC-BIO-a68395b7-4
0.301
MAR-TRE-e86a56b5-81
0.297
MAR-TRE-67513f76-46
0.295
MAR-TRE-67513f76-96
0.291
VOL-CHA-d666e5ae-3
0.289
NIM-UNI-ed9fc491-1
0.284
MAR-TRE-7f7bb9f0-4
0.281
NIM-UNI-ed9fc491-2
0.281
MAR-TRE-e86a56b5-97
0.279
VOL-CHA-d666e5ae-5
0.278
NAU-LAT-81109c57-2
0.278
CHA-KIN-7308df58-2
0.277
MAR-TRE-67513f76-95
0.277
NIM-UNI-ed9fc491-3
0.277
MAK-UNK-c44f4be0-9
0.274
MAR-TRE-e86a56b5-21
0.273
MAR-SOS-c7881798-11
0.273
MAR-SOS-82e3a7c7-10
0.273
MAR-TRE-4f39ef4a-25
0.273
MAK-UNK-c44f4be0-7
0.271
MAR-TRE-9c797165-13
0.270
MAK-UNK-10799360-26
0.269
TIM-UNK-bcd886f8-1
0.268
MAR-TRE-e86a56b5-84
0.267
MAK-UNK-c44f4be0-14
0.266
MAR-TRE-e86a56b5-50
0.266
MAR-TRE-4f39ef4a-52
0.265
MAK-UNK-c44f4be0-8
0.263
MAR-TRE-e86a56b5-65
0.262
NIM-UNI-ed9fc491-4
0.260
CHA-KIN-7308df58-3
0.260
MAR-UCB-195bc32d-14
0.258
MAK-UNK-c44f4be0-10
0.258
CHA-KIN-45d1307a-3
0.257
MAR-TRE-9d18ae8c-20
0.255
MAK-UNK-c44f4be0-11
0.255
CHA-KIN-bfe9b535-8
0.255
MAR-TRE-ebcc4ad6-35
0.254
MAR-TRE-e86a56b5-39
0.253
MAR-TRE-e86a56b5-37
0.253
MAR-TRE-e86a56b5-5
0.253
CHA-KIN-7308df58-1
0.252
MAR-TRE-e86a56b5-11
0.250
CHA-KIN-87c379ac-1
0.248
MAR-TRE-e86a56b5-57
0.247
MAR-TRE-e86a56b5-77
0.244
SEL-UNI-49ab05bd-6
0.244
MAR-TRE-85681e92-74
0.244
MAR-TRE-e86a56b5-83
0.243
CHA-KIN-bfe9b535-2
0.243
CHA-KIN-bfe9b535-1
0.243
MAK-UNK-c44f4be0-4
0.243
MAR-TRE-3e4e6814-62
0.241
SHA-THE-408e7524-23
0.241
MAR-TRE-e86a56b5-6
0.241
CHA-KIN-87c379ac-2
0.240
MAR-TRE-3e4e6814-52
0.239
MAR-TRE-04c86cea-85
0.238
MAR-TRE-e86a56b5-42
0.237
CHA-KIN-45d1307a-2
0.236
MAR-TRE-4f39ef4a-40
0.235
KEN-ILL-f8fa3277-2
0.234
CHA-KIN-45d1307a-1
0.234
MAK-UNK-c44f4be0-3
0.233
ABH-HOE-1cbf6cd9-2
0.230
MAR-TRE-e86a56b5-64
0.230
CHA-KIN-bfe9b535-5
0.229