Molecular Properties | |
SMILES: | COc1cc(NC(=O)Cc2c[nH]c3ncccc23)cc(OC)c1 |
MW: | 311.13 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 76.24 |
cLogP: | 2.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1400783418 |
Mcule: | MCULE-1056262757 |
KAL-WAB-eb347ebe-1
0.618
DAR-DIA-23aa0b97-12
0.589
DAR-DIA-23aa0b97-1
0.558
MAR-TRE-3159af1a-9
0.556
DAR-DIA-23aa0b97-2
0.544
ANT-DIA-3c79be55-3
0.518
MAR-TRE-3159af1a-8
0.507
ANT-DIA-3c79be55-1
0.500
NIC-BIO-25446079-3
0.500
TRY-UNI-1fd04853-7
0.487
TRY-UNI-1fd04853-5
0.481
TRY-UNI-1fd04853-11
0.481
NIC-BIO-25446079-1
0.481
TRY-UNI-1fd04853-9
0.475
TRY-UNI-1fd04853-8
0.468
MAR-TRE-3159af1a-76
0.463
TRY-UNI-1fd04853-6
0.463
TRY-UNI-1fd04853-12
0.463
MAR-UCB-195bc32d-10
0.455
MAK-UNK-b1917cc8-5
0.455
TRY-UNI-1fd04853-10
0.452
AAR-POS-d2a4d1df-20
0.449
MAR-TRE-3159af1a-41
0.446
MAR-UCB-195bc32d-13
0.438
NIC-BIO-25446079-4
0.432
IND-SYN-3aa4e743-1
0.430
IND-SYN-6c8299e8-5
0.430
RED-RED-10c9212c-49
0.429
NIC-BIO-25446079-2
0.425
NIC-BIO-29f4a211-1
0.417
SAD-SAT-f25ee457-5
0.417
MAR-TRE-3159af1a-40
0.414
MAR-TRE-3159af1a-37
0.414
NAU-LAT-81109c57-7
0.411
NIC-BIO-29f4a211-2
0.402
NIC-BIO-ec630548-1
0.402
NIC-BIO-ec630548-2
0.398
NIC-BIO-f814dd3d-1
0.394
SAD-SAT-f25ee457-10
0.394
NIC-BIO-ec630548-4
0.393
ASH-UNK-40b46b30-18
0.389
NIC-BIO-ec630548-3
0.389
NIC-BIO-96ee2ca4-1
0.387
TAM-UNI-c140e31a-4
0.385
MAR-TRE-3159af1a-90
0.382
TAM-UNI-c140e31a-5
0.379
MAR-TRE-3159af1a-70
0.379
TAM-UNI-c140e31a-17
0.378
TAM-UNI-c140e31a-18
0.378
ZAC-WAB-d55a3c2e-1
0.376
ZAC-WAB-2baeb60f-1
0.376
MAK-UNK-de8f6d00-8
0.374
MAR-TRE-3159af1a-66
0.374
NIC-BIO-3276ca7f-4
0.371
MAR-TRE-3159af1a-91
0.370
SWA-SYN-d2e6fa14-9
0.370
SWA-SYN-6423ea73-10
0.370
TAM-UNI-c140e31a-8
0.367
MAK-UNK-de8f6d00-2
0.366
SWA-SYN-d2e6fa14-4
0.366
SWA-SYN-6423ea73-4
0.366
ASH-UNK-40b46b30-14
0.363
MAK-UNK-de8f6d00-7
0.363
PET-SGC-fc67af9f-1
0.362
NIC-BIO-3276ca7f-6
0.362
MAR-TRE-3159af1a-2
0.361
GAB-FRA-261eb2a6-1
0.360
MAK-UNK-de8f6d00-3
0.360
MAR-TRE-3159af1a-84
0.359
NIC-BIO-3276ca7f-5
0.359
DOU-UNK-b5326f8f-15
0.358
NIC-BIO-3276ca7f-1
0.356
MAR-TRE-3159af1a-16
0.354
NIC-BIO-96ee2ca4-2
0.353
MAK-UNK-10572812-9
0.352
MAK-UNK-10572812-8
0.352
JON-UNI-57097b3f-2
0.350
SHR-UNK-cde60afe-1
0.350
MAK-UNK-10572812-12
0.346
MAK-UNK-10572812-10
0.345
SAD-SAT-f25ee457-6
0.343
MAK-UNK-de8f6d00-1
0.343
MAK-UNK-10572812-13
0.339
DOU-UNK-b5326f8f-17
0.339
MAR-TRE-3159af1a-24
0.337
MAK-UNK-10572812-2
0.336
MAK-UNK-10572812-6
0.333
MAK-UNK-10572812-7
0.333
MAK-UNK-de8f6d00-5
0.333
MAK-UNK-10572812-1
0.333
ZAC-WAB-86e8bacf-1
0.333
MAK-UNK-10572812-11
0.330
MAK-UNK-de8f6d00-6
0.330
TAM-UNI-c140e31a-9
0.330
MAR-TRE-3159af1a-75
0.330
MAR-TRE-3159af1a-1
0.330
MAR-TRE-3159af1a-18
0.330
MAR-TRE-7f7bb9f0-83
0.327
DUN-NEW-f8ce3686-7
0.324
MAR-TRE-3159af1a-21
0.324