Molecular Properties | |
SMILES: | O=C(CCl)N1CCCC(n2cc(-c3ccccc3)nn2)C1 |
MW: | 304.781 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 51.02 |
cLogP: | 2.3474 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
STE-KUL-2e0d2e88-5
0.754
STE-KUL-2e0d2e88-6
0.561
IND-SYN-6c8299e8-1
0.349
GIA-UNK-c4371e97-2
0.346
AAR-POS-d2a4d1df-30
0.345
TAT-ENA-80bfd3e5-13
0.345
SAD-SAT-65574d3f-6
0.333
MAK-UNK-6c8f5f75-2
0.329
DUN-NEW-f8ce3686-22
0.325
MAK-UNK-af83ef51-1
0.318
WAR-XCH-bdd24732-16
0.317
JON-MCD-47e58de1-1
0.312
PAU-WEI-c6d65c11-1
0.312
SAD-SAT-c989feaa-4
0.310
JOE-SYG-2c9a1216-1
0.301
WAR-XCH-bdd24732-19
0.294
MAR-TRE-6a44bbf2-86
0.293
LON-WEI-120e5cf5-15
0.293
GIA-UNK-c4371e97-1
0.292
SAD-SAT-5b1897b2-3
0.291
GIA-UNK-7337c2f3-10
0.291
MED-COV-4280ac29-27
0.290
DUN-NEW-f8ce3686-3
0.289
MAK-UNK-6ca90168-11
0.287
MAK-UNK-5d2caa6f-20
0.287
STU-CHA-0be58c98-1
0.287
GIA-UNK-7337c2f3-14
0.287
GIA-UNK-c4371e97-3
0.286
SEL-UNI-49ab05bd-4
0.286
SIM-SYN-7db9eb24-1
0.284
DAN-LON-a5fc619e-1
0.284
MAR-TRE-3159af1a-16
0.283
SIM-SYN-f15aaa3a-1
0.282
MAT-POS-ea426761-98
0.281
AAR-POS-0daf6b7e-5
0.280
SAD-SAT-c989feaa-5
0.280
WAR-XCH-bdd24732-20
0.279
STE-KUL-2e0d2e88-7
0.278
NIM-UNI-05f93fcc-2
0.278
GIA-UNK-20b63697-6
0.276
LON-WEI-120e5cf5-2
0.276
YOI-UNK-a533afbc-4
0.276
YOI-UNK-12211982-4
0.276
AHN-SAT-de2502ba-7
0.275
GIA-UNK-7337c2f3-11
0.275
SAD-SAT-29425be4-4
0.275
PAU-UNI-b33c5197-1
0.274
LON-WEI-120e5cf5-5
0.274
SAL-INS-1c7a5a55-11
0.274
BEN-DND-03406596-1
0.273
BEN-DND-76ad4ac9-9
0.273
MAK-UNK-987948f6-2
0.273
MAK-UNK-7c9d1431-24
0.273
DRR-IMP-38dce17f-3
0.273
MAK-UNK-3e0761f8-8
0.273
SEA-TRI-f744d433-1
0.272
YOI-UNK-a533afbc-6
0.272
YOI-UNK-12211982-6
0.272
DRR-IMP-38dce17f-5
0.272
MAK-UNK-af83ef51-2
0.271
MAR-TRE-6a44bbf2-15
0.267
AAR-POS-0daf6b7e-6
0.267
MAR-LAB-efb042c5-1
0.267
MAK-UNK-3f402c2b-19
0.267
LON-WEI-120e5cf5-12
0.266
MAR-TRE-6a44bbf2-28
0.265
MAK-UNK-7c9d1431-23
0.265
GIA-UNK-7337c2f3-7
0.264
SEL-UNI-cd366922-5
0.264
LON-WEI-120e5cf5-6
0.264
MAR-TRE-dab8f6ea-32
0.264
PEI-IMP-ca0b2813-4
0.263
PAU-UNI-b6a619a1-1
0.263
MAK-UNK-ec98eaf6-11
0.263
MAK-UNK-a7992eb3-8
0.263
MAR-TRE-6a44bbf2-9
0.261
LON-WEI-120e5cf5-16
0.261
MED-COV-dea4df70-1
0.261
HAR-NEW-972ef1cc-2
0.260
SAD-SAT-c989feaa-8
0.260
DAN-MCD-68a9aade-1
0.260
DAN-MCD-a37c31cb-1
0.260
DAN-MCD-e5161b06-1
0.260
SAD-SAT-29425be4-16
0.260
DAN-PUR-3907f623-1
0.259
MAR-TRE-6a44bbf2-21
0.259
MAK-UNK-7c9d1431-9
0.259
BEN-DND-76ad4ac9-8
0.259
DAR-DIA-3e9bbd81-12
0.258
GIA-UNK-7337c2f3-2
0.258
LON-WEI-120e5cf5-11
0.258
MAK-UNK-5d2caa6f-21
0.258
NIM-UNI-13494739-8
0.258
MAK-UNK-5d2caa6f-1
0.258
ANT-STE-dbb91f63-3
0.258
DAN-LON-a5fc619e-7
0.258
THO-SYG-f9b2970d-2
0.258
SAD-SAT-c989feaa-1
0.258
MED-COV-4280ac29-30
0.258
MAK-UNK-5d2caa6f-22
0.257