Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3cc(=O)[nH]c4ccccc34)cc(Cl)cc12 |
| MW: | 436.13 |
| Fraction sp3: | 0.17 |
| HBA: | 3 |
| HBD: | 4 |
| Rotatable Bonds: | 6 |
| TPSA: | 106.85 |
| cLogP: | 3.52 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3cncc4ccccc34)cc(Cl)cc12](/static/images/loading.7a8cbb7079d7.gif)
NAU-LAT-30527ac5-4
0.622
NAU-LAT-0543f7f2-3
0.577
NAU-LAT-30527ac5-5
0.577
NAU-LAT-30527ac5-3
0.574
MAT-POS-3b92565d-4
0.510
MAT-POS-e1b5ac6b-2
0.510
MAT-POS-e1b5ac6b-1
0.505
ROB-UNI-daaf9793-1
0.505
MAT-POS-3b92565d-5
0.480
BEN-DND-362d364a-8
0.457
ROB-UNI-b2e39629-4
0.457
NAU-LAT-0543f7f2-4
0.439
DAR-DIA-fb20be43-15
0.427
MAT-POS-3b92565d-6
0.426
DUN-NEW-f8ce3686-21
0.421
TAM-UNI-c140e31a-2
0.417
PET-SGC-1c3a473d-1
0.417
SAN-PRS-3c4a6997-2
0.409
NAU-LAT-a5c7d7cb-9
0.404
GAB-REV-4a4e2ff3-15
0.398
ROB-UNI-b2e39629-6
0.396
SAN-PRS-3c4a6997-1
0.391
MAR-UCB-f313ec4d-1
0.385
DUN-NEW-f8ce3686-10
0.378
CAL-AMP-9edebd8f-1
0.378
ELE-IMP-dfb36048-2
0.378
GAB-REV-4a4e2ff3-3
0.373
DAR-DIA-caba39e3-5
0.368
ADA-UCB-6c2cb422-10
0.368
ADA-UCB-6c2cb422-11
0.368
FRA-DIA-0fa076fe-3
0.358
MAT-UCB-93f6aed8-2
0.357
GAB-REV-4a4e2ff3-14
0.356
MAT-UCB-93f6aed8-1
0.355
FRA-DIA-0fa076fe-4
0.355
ADA-UCB-6c2cb422-8
0.350
DUN-NEW-f8ce3686-24
0.349
MAR-TRE-fd17a9b8-1
0.348
NAU-LAT-81109c57-7
0.348
MAK-UNK-10799360-31
0.347
WIL-LEE-1f71e281-6
0.347
PAT-UNK-b2d83456-4
0.343
NAU-LAT-81109c57-5
0.343
ROB-UNI-b2e39629-2
0.340
NAU-LAT-81109c57-3
0.339
MAT-UCB-70f7c0f7-5
0.339
JOK-SYG-b7365cd7-1
0.337
DUN-NEW-f8ce3686-11
0.336
BEN-DND-b89db3f2-1
0.336
NAU-LAT-b7d8c353-3
0.336
FRA-DIA-e29753f2-1
0.336
JAG-UCB-c61058a9-45
0.336
VLA-UCB-05e51b3f-18
0.336
VLA-UCB-50c39ae8-11
0.336
GAB-REV-4a4e2ff3-6
0.333
GAB-REV-4a4e2ff3-13
0.333
HAN-NEW-5f56c3bc-2
0.333
GAB-REV-4a4e2ff3-11
0.331
JOK-SYG-b9f02a42-3
0.330
MAK-UNK-ec98eaf6-47
0.330
NIR-THE-0d6461ce-2
0.330
GAB-REV-4a4e2ff3-21
0.330
TAM-UNI-c140e31a-15
0.330
SIM-DEM-265738e1-1
0.330
PET-SGC-f818f65b-1
0.330
ELE-IMP-dfb36048-1
0.330
SAM-UNK-903735bd-2
0.330
GAB-REV-4a4e2ff3-18
0.328
JOK-SYG-b9f02a42-1
0.327
ASH-UNK-40b46b30-7
0.327
JIN-POS-6dc588a4-5
0.327
MAK-UNK-be5ffcbc-9
0.327
JOH-MSK-2d8052dc-1
0.325
STU-CHA-bc0a9883-1
0.324
JOK-SYG-302da050-1
0.324
NAU-LAT-f723e322-1
0.324
DAR-DIA-fb20be43-11
0.324
JAN-GHE-6413aaf8-5
0.324
JOH-MEM-4bb7e4cc-1
0.323
JOH-MSK-a63bdd1d-1
0.323
DUN-NEW-f8ce3686-12
0.323
MAT-GIT-deadff56-1
0.323
MAR-UCB-195bc32d-16
0.323
JOH-MSK-a63bdd1d-4
0.323
HAN-NEW-5f56c3bc-4
0.322
JOK-SYG-b9f02a42-2
0.322
AAR-POS-d2a4d1df-2
0.320
PAT-UNK-b2d83456-5
0.318
JOH-MSK-d60b0211-1
0.318
TAM-UNI-c140e31a-16
0.318
MAK-UNK-be5ffcbc-2
0.318
TAM-UNI-c140e31a-3
0.316
NIR-THE-0d6461ce-3
0.316
DAR-DIA-fb20be43-14
0.316
GAB-REV-4a4e2ff3-8
0.315
MAK-UNK-be5ffcbc-4
0.315
DAR-DIA-8e329c92-9
0.315
MAR-UCB-195bc32d-21
0.313
ALE-ACE-2610ee4d-1
0.313
JOH-MSK-35a8745a-1
0.313