Molecular Properties | |
SMILES: | O=C(Cc1c[nH]c2ncccc12)NC1(C(=O)O)CCOC1 |
MW: | 289.11 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 104.31 |
cLogP: | 0.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1870022365 |
MolPort: | MolPort-042-166-529 |
MAR-TRE-3159af1a-41
0.531
MAR-TRE-3159af1a-9
0.506
MAR-TRE-3159af1a-8
0.500
KAL-WAB-eb347ebe-1
0.481
NIC-BIO-25446079-3
0.476
ANT-DIA-3c79be55-1
0.476
NIC-BIO-25446079-1
0.475
DAR-DIA-23aa0b97-12
0.463
MAR-TRE-3159af1a-33
0.463
TRY-UNI-1fd04853-7
0.463
MAR-TRE-3159af1a-66
0.449
TRY-UNI-1fd04853-8
0.446
NIC-BIO-ec630548-2
0.443
DAR-DIA-23aa0b97-1
0.442
TRY-UNI-1fd04853-5
0.440
TRY-UNI-1fd04853-11
0.440
TRY-UNI-1fd04853-9
0.435
MAR-UCB-195bc32d-13
0.434
MAK-UNK-b1917cc8-5
0.432
NIC-BIO-25446079-4
0.429
MAR-TRE-3159af1a-40
0.427
MAR-TRE-3159af1a-90
0.427
IND-SYN-6c8299e8-5
0.427
AAR-POS-d2a4d1df-20
0.427
IND-SYN-3aa4e743-1
0.427
TRY-UNI-1fd04853-6
0.425
TRY-UNI-1fd04853-12
0.425
NIC-BIO-25446079-2
0.422
DAR-DIA-23aa0b97-2
0.416
TRY-UNI-1fd04853-10
0.416
SAD-SAT-f25ee457-5
0.414
ANT-DIA-3c79be55-3
0.413
MAR-TRE-3159af1a-37
0.411
RED-RED-10c9212c-49
0.409
NIC-BIO-29f4a211-1
0.398
SWA-SYN-d2e6fa14-4
0.394
SWA-SYN-6423ea73-4
0.394
NIC-BIO-ec630548-4
0.391
NIC-BIO-ec630548-3
0.387
NIC-BIO-29f4a211-2
0.385
NIC-BIO-ec630548-1
0.385
SWA-SYN-d2e6fa14-9
0.383
SWA-SYN-6423ea73-10
0.383
NIC-BIO-f814dd3d-1
0.378
ASH-UNK-40b46b30-18
0.374
NIC-BIO-3276ca7f-4
0.370
MAK-UNK-de8f6d00-1
0.369
MAK-UNK-de8f6d00-6
0.368
NAU-LAT-81109c57-7
0.366
MAR-TRE-3159af1a-70
0.364
ZAC-WAB-d55a3c2e-1
0.361
ZAC-WAB-2baeb60f-1
0.361
MAK-UNK-de8f6d00-8
0.359
NIC-BIO-96ee2ca4-1
0.357
MAK-UNK-de8f6d00-2
0.352
NIC-BIO-96ee2ca4-2
0.352
TAM-UNI-c140e31a-5
0.350
SAD-SAT-f25ee457-10
0.350
MAR-TRE-3159af1a-24
0.350
MAK-UNK-de8f6d00-7
0.349
MAR-UCB-195bc32d-10
0.349
PET-SGC-fc67af9f-1
0.349
MAR-TRE-3159af1a-2
0.347
MAK-UNK-de8f6d00-5
0.346
MAR-TRE-3159af1a-84
0.344
TAM-UNI-c140e31a-4
0.343
NIC-BIO-3276ca7f-1
0.340
TAM-UNI-c140e31a-8
0.340
MAR-TRE-3159af1a-16
0.340
TAM-UNI-c140e31a-17
0.337
TAM-UNI-c140e31a-18
0.337
SHR-UNK-cde60afe-1
0.336
ASH-UNK-40b46b30-14
0.336
MAK-UNK-de8f6d00-3
0.333
GAB-FRA-261eb2a6-1
0.333
JON-UNI-57097b3f-2
0.333
SAD-SAT-f25ee457-6
0.330
MAR-TRE-3159af1a-99
0.330
MAR-TRE-3159af1a-75
0.330
NIC-BIO-3276ca7f-5
0.330
MAK-UNK-10572812-8
0.327
MAK-UNK-10572812-9
0.327
MAR-TRE-3159af1a-44
0.324
NIC-BIO-3276ca7f-6
0.320
TAM-UNI-c140e31a-9
0.318
MAR-TRE-3159af1a-1
0.317
MAK-UNK-10572812-13
0.316
SID-ELM-1f105489-9
0.315
MAR-TRE-3159af1a-21
0.311
MAK-UNK-10572812-7
0.311
MAK-UNK-10572812-6
0.311
MAK-UNK-10572812-10
0.310
MAK-UNK-10572812-12
0.310
MAR-TRE-3159af1a-42
0.309
MAR-TRE-3159af1a-43
0.309
ZAC-WAB-86e8bacf-1
0.308
MAK-UNK-10572812-11
0.307
MAR-TRE-3159af1a-65
0.305
MAR-TRE-3159af1a-74
0.304
MAR-TRE-3159af1a-58
0.303