Molecular Properties | |
SMILES: | CC(=O)NCCc1cn(CC(=O)Nc2c[nH]c3ncccc23)c2ccccc12 |
MW: | 375.432 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.81 |
cLogP: | 2.8349 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
DUN-NEW-f8ce3686-8
0.622
DUN-NEW-f8ce3686-7
0.621
DUN-NEW-f8ce3686-13
0.479
SID-ELM-1f105489-9
0.375
TAM-UNI-c140e31a-19
0.372
DUN-NEW-f8ce3686-9
0.368
NAU-LAT-81109c57-7
0.366
BAR-COM-0f94fc3d-57
0.363
KEI-TRE-d5e2018a-74
0.360
MAK-UNK-10572812-12
0.358
PET-SGC-708ec5d8-1
0.347
SHR-UNK-cde60afe-1
0.339
BAR-COM-0f94fc3d-20
0.336
MAR-UCB-195bc32d-13
0.333
MAK-UNK-10572812-13
0.331
DAR-DIA-23aa0b97-11
0.324
MAK-UNK-10572812-11
0.323
DAR-DIA-23aa0b97-10
0.321
NIC-BIO-3276ca7f-1
0.318
NIC-BIO-3276ca7f-4
0.318
DUN-NEW-f8ce3686-5
0.316
ROB-UNI-b2e39629-11
0.315
MAR-TRE-3159af1a-98
0.314
SAN-PRS-3c4a6997-2
0.312
BAR-COM-0f94fc3d-14
0.308
NIC-BIO-25446079-3
0.308
ROB-UNI-b2e39629-12
0.307
MAR-TRE-3159af1a-8
0.307
IND-SYN-6c8299e8-5
0.307
IND-SYN-3aa4e743-1
0.307
MAR-TRE-3159af1a-94
0.305
KEI-TRE-d5e2018a-68
0.302
PET-SGC-1c3a473d-1
0.302
NIC-BIO-3276ca7f-6
0.301
MAK-UNK-10572812-8
0.299
TAM-UNI-c140e31a-3
0.299
RED-RED-10c9212c-49
0.299
ASH-UNK-40b46b30-7
0.298
MAR-TRE-3159af1a-33
0.298
NIC-BIO-25446079-4
0.298
NIC-BIO-3276ca7f-5
0.297
MAK-UNK-b1917cc8-5
0.297
MAR-TRE-3159af1a-9
0.297
SAN-PRS-3c4a6997-3
0.296
ANT-DIA-3c79be55-1
0.295
TRY-UNI-1fd04853-11
0.295
SWA-SYN-6423ea73-10
0.295
SWA-SYN-d2e6fa14-9
0.295
MAK-UNK-10572812-10
0.295
AAR-POS-d2a4d1df-20
0.294
MAR-TRE-3159af1a-55
0.292
GAB-REV-4a4e2ff3-11
0.292
NIC-BIO-25446079-1
0.291
NIC-BIO-25446079-2
0.291
MAR-TRE-3159af1a-40
0.291
TAM-UNI-d1c3dd9f-23
0.290
MAR-TRE-3159af1a-20
0.289
GAB-REV-4a4e2ff3-21
0.288
MAR-TRE-3159af1a-99
0.288
MAR-TRE-3159af1a-76
0.287
MAR-TRE-3159af1a-68
0.287
NIC-BIO-96ee2ca4-1
0.287
TAM-UNI-c140e31a-22
0.287
MAR-TRE-3159af1a-69
0.286
MAR-TRE-3159af1a-84
0.286
TAM-UNI-c140e31a-2
0.286
MAK-UNK-10572812-1
0.285
MAR-TRE-3159af1a-53
0.284
MAR-TRE-3159af1a-24
0.283
TRY-UNI-1fd04853-5
0.283
NIC-BIO-29f4a211-2
0.282
NIC-BIO-ec630548-1
0.282
TRY-UNI-1fd04853-7
0.282
MAR-TRE-3e4e6814-90
0.281
TRY-UNI-1fd04853-9
0.280
MAR-UCB-195bc32d-21
0.280
ALE-ACE-2610ee4d-1
0.280
JOH-MSK-35a8745a-1
0.280
NAU-LAT-0543f7f2-3
0.280
NAU-LAT-30527ac5-5
0.280
MAR-TRE-3159af1a-2
0.280
ZAC-WAB-86e8bacf-1
0.280
DUN-NEW-f8ce3686-21
0.279
MAR-TRE-f6f5f473-18
0.279
WAR-XCH-e55cba98-2
0.279
ZAC-WAB-d55a3c2e-1
0.278
ZAC-WAB-2baeb60f-1
0.278
NIC-BIO-29f4a211-1
0.278
MAK-UNK-10572812-9
0.278
MAK-UNK-be5ffcbc-6
0.278
MAR-TRE-3159af1a-30
0.277
GAB-REV-4a4e2ff3-18
0.277
KAL-WAB-eb347ebe-1
0.277
MAK-UNK-10572812-14
0.277
TAM-UNI-c140e31a-16
0.277
NAU-LAT-81109c57-5
0.277
TAM-UNI-d1c3dd9f-20
0.277
GAB-REV-4a4e2ff3-7
0.276
NAU-LAT-30527ac5-4
0.276
MAR-TRE-3159af1a-72
0.276