Molecular Properties | |
SMILES: | NCc1cccc(N2CN(C(=O)CCl)Cc3ccccc32)c1 |
MW: | 315.804 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 49.57 |
cLogP: | 2.8219 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
NAM-UNK-f7c77a48-3
0.329
EDJ-MED-c292668a-1
0.326
NIR-THE-c331be7a-1
0.300
ROB-CAM-6936528f-1
0.286
AAR-POS-d2a4d1df-24
0.280
MAK-UNK-c8c8f7e2-20
0.280
MAT-POS-7174c657-2
0.280
MAT-POS-7174c657-3
0.280
AAR-POS-0daf6b7e-14
0.279
SAD-SAT-65574d3f-9
0.275
NIM-UNI-43fe0159-2
0.274
STU-CHA-0be58c98-1
0.274
MIH-UNI-e573136b-11
0.272
NIR-THE-c331be7a-4
0.272
MIH-UNI-e573136b-9
0.272
NIR-THE-c331be7a-6
0.272
DAR-DIA-caba39e3-1
0.272
DAN-LON-a5fc619e-1
0.270
AAA-OOO-6ef70637-1
0.269
AAR-POS-d2a4d1df-35
0.268
MED-COV-4280ac29-15
0.268
JOH-UNI-0e1753c1-3
0.268
HYO-UNK-49a60884-1
0.268
JOK-SYG-18591e8f-1
0.267
SAD-SAT-c989feaa-5
0.266
NIR-THE-c331be7a-2
0.266
STU-CHA-83dacf15-1
0.265
DAR-DIA-caba39e3-8
0.263
SAD-SAT-5b1897b2-10
0.263
GIA-UNK-4de5abb1-1
0.261
MIH-UNI-e573136b-10
0.261
DAR-DIA-caba39e3-2
0.260
JOH-UNI-e19b918c-10
0.260
TAM-UNI-d1c3dd9f-10
0.260
AAR-POS-d2a4d1df-28
0.259
STU-CHA-7e77017b-1
0.257
DRR-IMP-38dce17f-3
0.256
MAK-UNK-7c9d1431-24
0.256
MAK-UNK-6ca90168-15
0.256
SAD-SAT-5b1897b2-4
0.256
DRR-IMP-dff87f5e-8
0.256
BEN-DND-76ad4ac9-3
0.256
DAN-LON-a5fc619e-2
0.256
THO-SYG-4e0386bb-1
0.255
SAD-SAT-c989feaa-3
0.255
DAR-DIA-caba39e3-10
0.255
MAK-UNK-af83ef51-6
0.253
DAR-DIA-caba39e3-9
0.252
MED-COV-4280ac29-6
0.250
DAN-LON-a5fc619e-5
0.250
MAK-UNK-7c9d1431-23
0.250
MAR-TRE-6a44bbf2-28
0.250
IND-SYN-6c8299e8-3
0.250
NIR-THE-c331be7a-5
0.250
TAM-UNI-d1c3dd9f-3
0.250
MIH-UNI-e573136b-12
0.250
STE-KUL-2e0d2e88-7
0.250
DAR-DIA-caba39e3-7
0.250
TAM-UNI-d1c3dd9f-7
0.248
NIM-UNI-bb610069-3
0.248
NIM-UNI-594fbbb6-3
0.248
SAD-SAT-c989feaa-8
0.247
MAK-UNK-3d7e3904-2
0.247
DUN-NEW-f8ce3686-3
0.247
DAN-LON-a5fc619e-8
0.247
DRR-IMP-38dce17f-2
0.247
ANT-STE-dbb91f63-3
0.245
DAN-LON-a5fc619e-7
0.245
GIA-UNK-7337c2f3-2
0.244
BEN-DND-76ad4ac9-9
0.244
BEN-DND-03406596-1
0.244
DAR-DIA-3e9bbd81-12
0.244
MAK-UNK-3f402c2b-3
0.244
DRR-IMP-38dce17f-1
0.244
DRR-IMP-dff87f5e-4
0.244
SAL-INS-1c7a5a55-5
0.243
JAR-IMP-ed466bb3-2
0.242
MAT-POS-162a9720-2
0.241
NIL-NON-a189c016-1
0.241
DRR-IMP-38dce17f-5
0.241
MED-COV-4280ac29-4
0.240
STU-CHA-07310c75-1
0.240
MED-COV-4280ac29-29
0.239
MAK-UNK-6ca90168-1
0.239
DAV-CRI-1c77f7a9-4
0.239
DAV-CRI-3fe943ba-1
0.238
PAU-WEI-b9b69149-1
0.237
AHN-SAT-721e3e40-1
0.237
JOH-UNI-0e1753c1-5
0.237
DAN-LON-a5fc619e-3
0.237
MAK-UNK-c8c8f7e2-6
0.236
MAK-UNK-10dfa458-39
0.236
MAR-TRE-6a44bbf2-54
0.236
MAT-POS-ee51dedd-1
0.236
MAK-UNK-7c9d1431-16
0.236
SAD-SAT-24589cd1-7
0.236
DAV-CRI-3fe943ba-2
0.236
AHN-SAT-de2502ba-14
0.235
SAD-SAT-65574d3f-1
0.235
DAN-LON-a5fc619e-6
0.235