Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1c1cccnc1 |
MW: | 379.891 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 36.44 |
cLogP: | 3.8591 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
NIM-UNI-363644a0-1
0.692
MIH-UNI-e573136b-3
0.622
MIH-UNI-e573136b-1
0.560
MED-COV-4280ac29-31
0.500
AAR-POS-d2a4d1df-40
0.500
MAK-UNK-3f402c2b-14
0.433
DAN-LON-a5fc619e-5
0.404
JOO-IND-6372a4f3-6
0.400
JOO-IND-6372a4f3-4
0.398
NIM-UNI-363644a0-2
0.385
JOO-IND-6372a4f3-5
0.380
DAR-DIA-fb20be43-2
0.366
MAK-UNK-10799360-35
0.365
MAK-UNK-90d0606b-7
0.357
MIC-UNK-460e637d-3
0.345
MAK-UNK-10799360-14
0.342
PAU-UNI-19862c28-1
0.333
DAR-DIA-fb20be43-8
0.333
MIC-UNK-df342a3f-1
0.330
KRI-MAR-d2e3ef86-6
0.330
MED-COV-4280ac29-5
0.330
DAR-DIA-fb20be43-9
0.327
DAR-DIA-fb20be43-7
0.323
BOG-INS-01af3fef-1
0.322
DAR-DIA-fb20be43-6
0.320
DRR-IMP-38dce17f-4
0.318
MAK-UNK-e05327b2-8
0.308
KEI-UNI-85a52787-7
0.308
MIH-UNI-e573136b-4
0.307
MED-COV-4280ac29-13
0.305
KEI-UNI-85a52787-2
0.305
KEI-UNI-85a52787-4
0.305
MAK-UNK-5d2caa6f-11
0.304
MAK-UNK-5d2caa6f-1
0.303
DAR-DIA-3e9bbd81-1
0.301
MAR-TRE-b77b7921-50
0.300
JUL-TUD-06b2044f-52
0.300
KEI-UNI-85a52787-3
0.300
KEI-UNI-85a52787-10
0.300
KEI-UNI-85a52787-8
0.299
KEI-UNI-85a52787-1
0.298
KEI-UNI-85a52787-6
0.294
MAK-UNK-ec98eaf6-24
0.292
DAR-DIA-6a49afbe-4
0.292
KEI-UNI-85a52787-9
0.292
DAR-DIA-3e9bbd81-2
0.290
MAK-UNK-6ca90168-1
0.287
STE-KUL-2e0d2e88-2
0.287
MAK-UNK-5d2caa6f-9
0.287
KEI-UNI-85a52787-5
0.287
MAK-UNK-7c9d1431-20
0.286
NEH-REV-107bcf72-4
0.286
PAU-UNI-b2b6b158-1
0.286
JOO-PER-58e158bd-1
0.284
THO-SYG-f9b2970d-1
0.283
THO-SYG-f9b2970d-3
0.283
WAR-XCH-b0339bbe-19
0.282
MIK-MCD-8542a490-1
0.282
MAK-UNK-bae89c02-3
0.280
MAR-TRE-f6f5f473-10
0.279
JOH-UNI-27ac80fd-29
0.278
MIC-UNK-a28eba03-2
0.278
DRR-IMP-db50bf6e-4
0.278
MAK-UNK-5d2caa6f-13
0.275
DAN-LON-a5fc619e-10
0.275
MIC-UNK-a28eba03-3
0.275
DAV-CRI-1c77f7a9-6
0.274
MIC-UNK-a28eba03-4
0.273
DAV-CRI-1c77f7a9-1
0.273
DAV-CRI-1c77f7a9-2
0.273
STE-KUL-2e0d2e88-3
0.273
WAR-XCH-bdd24732-16
0.272
MIC-UNK-a28eba03-1
0.272
JUL-TUD-06b2044f-128
0.272
AAR-UNI-c25c2f1e-99
0.272
KTA-UNK-dac325de-1
0.271
MAR-TRE-f6f5f473-32
0.270
MAK-UNK-ec98eaf6-19
0.269
TAT-ENA-80bfd3e5-20
0.268
AAR-POS-d2a4d1df-41
0.268
DAV-CRI-1c77f7a9-3
0.268
DAN-LON-a5fc619e-4
0.267
MIC-UNK-460e637d-2
0.267
BOG-INS-15b226b5-1
0.267
MAK-UNK-ec98eaf6-20
0.267
FOC-CAS-e3a94da8-1
0.266
UNK-UNK-2ede4078-6
0.266
PEI-IMP-ca0b2813-1
0.266
LON-WEI-120e5cf5-11
0.265
MIK-MCD-9143301b-1
0.265
STE-UNK-13e151dd-1
0.265
MAT-POS-4e253971-2
0.265
IAN-BAS-d38e7e67-1
0.264
THO-SYG-f9b2970d-2
0.264
THO-SYG-f9b2970d-4
0.264
DRR-IMP-38dce17f-5
0.264
JOO-IND-3132366c-1
0.264
MIC-UNK-460e637d-1
0.263
MAC-MCD-76766525-1
0.261
MAK-UNK-5d2caa6f-6
0.259