Molecular Properties | |
SMILES: | N#Cc1ccccc1NC(=O)Cc1c[nH]c2ncccc12 |
MW: | 276.299 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 81.57 |
cLogP: | 2.61578 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-2614803204 |
ANT-DIA-3c79be55-3
0.649
TRY-UNI-1fd04853-8
0.560
DAR-DIA-23aa0b97-1
0.551
KAL-WAB-eb347ebe-1
0.542
DAR-DIA-23aa0b97-2
0.537
ANT-DIA-3c79be55-2
0.529
TRY-UNI-1fd04853-10
0.519
TRY-UNI-1fd04853-6
0.512
TRY-UNI-1fd04853-12
0.512
MAR-TRE-3159af1a-33
0.500
DAR-DIA-23aa0b97-12
0.500
MAR-TRE-3159af1a-9
0.487
MAR-TRE-3159af1a-8
0.481
TRY-UNI-1fd04853-7
0.481
MAR-TRE-3159af1a-76
0.476
NIC-BIO-25446079-1
0.474
TRY-UNI-1fd04853-9
0.469
TRY-UNI-1fd04853-11
0.457
NIC-BIO-25446079-3
0.457
TRY-UNI-1fd04853-5
0.457
IND-SYN-3aa4e743-1
0.443
IND-SYN-6c8299e8-5
0.443
AAR-POS-d2a4d1df-20
0.443
MAR-TRE-3159af1a-41
0.440
NIC-BIO-25446079-2
0.438
MAK-UNK-b1917cc8-5
0.430
SWA-SYN-d2e6fa14-9
0.427
SWA-SYN-6423ea73-10
0.427
NIC-BIO-25446079-4
0.427
MAR-UCB-195bc32d-13
0.413
NIC-BIO-29f4a211-1
0.412
SAD-SAT-f25ee457-5
0.412
MAR-TRE-3159af1a-40
0.409
RED-RED-10c9212c-49
0.407
NIC-BIO-ec630548-1
0.398
NIC-BIO-29f4a211-2
0.398
MAR-TRE-3159af1a-37
0.393
MAR-TRE-3159af1a-90
0.393
NIC-BIO-ec630548-2
0.393
NIC-BIO-ec630548-4
0.389
MAR-TRE-3159af1a-66
0.385
NIC-BIO-ec630548-3
0.385
NIC-BIO-96ee2ca4-1
0.383
MAK-UNK-de8f6d00-1
0.380
NAU-LAT-81109c57-7
0.378
SWA-SYN-d2e6fa14-4
0.376
SWA-SYN-6423ea73-4
0.376
NIC-BIO-96ee2ca4-2
0.376
NIC-BIO-f814dd3d-1
0.375
TAM-UNI-c140e31a-18
0.374
ZAC-WAB-2baeb60f-1
0.372
ZAC-WAB-d55a3c2e-1
0.372
ASH-UNK-40b46b30-18
0.371
MAK-UNK-de8f6d00-8
0.370
MAK-UNK-de8f6d00-5
0.369
TAM-UNI-c140e31a-4
0.367
NIC-BIO-3276ca7f-4
0.367
MAR-TRE-3159af1a-16
0.364
MAR-TRE-3159af1a-70
0.361
SAD-SAT-f25ee457-10
0.361
TAM-UNI-c140e31a-5
0.361
TAM-UNI-c140e31a-17
0.360
MAK-UNK-de8f6d00-7
0.359
PET-SGC-fc67af9f-1
0.358
MAR-TRE-3159af1a-2
0.357
GAB-FRA-261eb2a6-1
0.356
SAD-SAT-f25ee457-6
0.353
MAK-UNK-de8f6d00-6
0.352
NIC-BIO-3276ca7f-1
0.352
TAM-UNI-c140e31a-8
0.350
ASH-UNK-40b46b30-14
0.346
JON-UNI-57097b3f-2
0.346
MAK-UNK-de8f6d00-3
0.343
MAR-TRE-1c920f6f-3
0.341
NIC-BIO-3276ca7f-5
0.340
MAR-TRE-3159af1a-84
0.340
MAK-UNK-de8f6d00-2
0.337
MAR-TRE-3159af1a-24
0.333
DUN-NEW-f8ce3686-7
0.333
RAL-THA-2d450e86-40
0.333
NIC-BIO-3276ca7f-6
0.330
DAR-DIA-23aa0b97-11
0.330
MAR-TRE-1c920f6f-74
0.330
MAR-UCB-195bc32d-10
0.329
MAK-UNK-10572812-11
0.327
MAR-TRE-3159af1a-99
0.327
DAR-DIA-23aa0b97-10
0.326
MAK-UNK-10572812-8
0.324
MAK-UNK-10572812-13
0.324
MAK-UNK-10572812-9
0.324
SHR-UNK-cde60afe-1
0.321
MAR-TRE-3159af1a-44
0.320
MAK-UNK-10572812-10
0.319
MAK-UNK-10572812-12
0.318
DOU-UNK-b5326f8f-15
0.318
ZAC-WAB-86e8bacf-1
0.317
MAR-TRE-0fda4e82-90
0.315
RAL-THA-2d450e86-21
0.315
TAM-UNI-c140e31a-9
0.315
MAR-TRE-3159af1a-1
0.314