Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(C(=O)Cc3c[nH]c4ncccc34)c(CCNS(C)(=O)=O)ccc12 |
MW: | 481.18 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 10 |
TPSA: | 136.81 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
Hetero_hetero
anthranil_one_A(38)
DUN-NEW-f8ce3686-10
0.489
ELE-IMP-dfb36048-2
0.489
CAL-AMP-9edebd8f-1
0.489
NAU-LAT-81109c57-7
0.467
MAK-UNK-10572812-12
0.440
ROB-UNI-b2e39629-4
0.433
BEN-DND-362d364a-8
0.433
ZAC-WAB-d55a3c2e-1
0.425
ZAC-WAB-2baeb60f-1
0.425
MAK-UNK-10572812-13
0.408
HAN-NEW-5f56c3bc-2
0.408
SIM-DEM-265738e1-1
0.404
PET-SGC-f818f65b-1
0.404
ELE-IMP-dfb36048-1
0.404
SAM-UNK-903735bd-2
0.404
TAM-UNI-c140e31a-15
0.404
ZAC-WAB-86e8bacf-1
0.396
MAK-UNK-b1917cc8-5
0.392
MAK-UNK-10572812-11
0.377
MAR-TRE-3159af1a-8
0.374
GAB-FRA-261eb2a6-1
0.371
ELE-IMP-dfb36048-5
0.370
MAR-TRE-3159af1a-9
0.364
RED-RED-10c9212c-49
0.362
IND-SYN-6c8299e8-5
0.360
IND-SYN-3aa4e743-1
0.360
DUN-NEW-f8ce3686-21
0.356
TRY-UNI-1fd04853-10
0.355
NIC-BIO-25446079-4
0.350
TRY-UNI-1fd04853-8
0.350
MAR-TRE-3159af1a-33
0.350
TRY-UNI-1fd04853-12
0.349
MAR-UCB-195bc32d-13
0.347
AAR-POS-d2a4d1df-20
0.347
TRY-UNI-1fd04853-7
0.347
MAK-UNK-10572812-10
0.346
TRY-UNI-1fd04853-5
0.346
TRY-UNI-1fd04853-11
0.346
KAL-WAB-eb347ebe-1
0.343
TRY-UNI-1fd04853-9
0.343
MAK-UNK-10572812-8
0.341
SAD-SAT-f25ee457-5
0.340
SWA-SYN-6423ea73-4
0.339
SWA-SYN-d2e6fa14-4
0.339
DUN-NEW-f8ce3686-5
0.339
DUN-NEW-f8ce3686-6
0.339
ASH-UNK-40b46b30-14
0.339
ROB-UNI-b2e39629-9
0.336
TRY-UNI-1fd04853-6
0.336
MAR-TRE-3159af1a-76
0.336
PAT-UNK-b2d83456-4
0.336
ASH-UNK-40b46b30-18
0.336
NIC-BIO-25446079-3
0.333
MAR-TRE-3159af1a-84
0.333
MAK-UNK-10572812-9
0.331
NIC-BIO-ec630548-1
0.330
DAR-DIA-23aa0b97-2
0.330
NIC-BIO-3276ca7f-4
0.330
DUN-NEW-f8ce3686-11
0.330
NIC-BIO-3276ca7f-1
0.330
NIC-BIO-25446079-1
0.330
NIC-BIO-25446079-2
0.330
TAM-UNI-c140e31a-18
0.328
MAR-TRE-3159af1a-70
0.328
MAR-TRE-3159af1a-40
0.327
NIC-BIO-ec630548-2
0.327
NIC-BIO-29f4a211-1
0.327
MAK-UNK-10572812-6
0.326
NIC-BIO-3276ca7f-6
0.325
TAM-UNI-c140e31a-16
0.324
NIC-BIO-ec630548-4
0.324
DAR-DIA-23aa0b97-1
0.324
MAR-TRE-3159af1a-41
0.324
DAR-DIA-23aa0b97-12
0.324
NAU-LAT-0543f7f2-4
0.322
NIC-BIO-96ee2ca4-1
0.322
ASH-UNK-40b46b30-7
0.322
NIC-BIO-3276ca7f-5
0.321
NIC-BIO-ec630548-3
0.321
TAM-UNI-c140e31a-2
0.321
ROB-UNI-b2e39629-10
0.321
ANT-DIA-3c79be55-1
0.321
ROB-UNI-b2e39629-6
0.320
TAM-UNI-c140e31a-22
0.320
GAB-REV-4a4e2ff3-7
0.320
ROB-UNI-b2e39629-2
0.320
DUN-NEW-f8ce3686-24
0.319
JAN-GHE-6413aaf8-5
0.319
NIC-BIO-29f4a211-2
0.318
PET-SGC-fc67af9f-1
0.317
TAM-UNI-c140e31a-17
0.317
SAD-SAT-f25ee457-10
0.316
MAK-UNK-10572812-7
0.316
JAN-GHE-6413aaf8-7
0.316
MAK-UNK-10572812-1
0.315
MAR-TRE-3159af1a-37
0.315
GAB-REV-4a4e2ff3-11
0.314
MAK-UNK-ec98eaf6-47
0.314
NAU-LAT-30527ac5-5
0.314
NAU-LAT-0543f7f2-3
0.314