Molecular Properties | |
SMILES: | O=C(NC1C2CC(C1NCc1ccccc1)N(C(=O)CCl)C2)c1ccccc1 |
MW: | 397.16 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 61.44 |
cLogP: | 2.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-3f402c2b-18
0.474
SIM-SYN-7db9eb24-1
0.432
AAR-POS-0daf6b7e-5
0.380
MAK-UNK-df1a028e-7
0.345
MAK-UNK-ec98eaf6-58
0.337
MAK-UNK-ec98eaf6-48
0.333
MAK-UNK-5d2caa6f-20
0.333
MAK-UNK-3e0761f8-8
0.318
MAK-UNK-5d2caa6f-22
0.310
MAK-UNK-3f402c2b-7
0.310
MAK-UNK-5d2caa6f-21
0.301
STE-KUL-2e0d2e88-1
0.299
MAK-UNK-3f402c2b-19
0.297
MAR-TRE-6a44bbf2-9
0.292
MAK-UNK-987948f6-2
0.291
MAK-UNK-90d0606b-8
0.289
MAK-UNK-df1a028e-9
0.287
GIA-UNK-d2defdc3-5
0.287
AAR-UNI-c25c2f1e-2
0.286
MAK-UNK-ec98eaf6-5
0.286
MAK-UNK-3f402c2b-10
0.284
MAK-UNK-5d2caa6f-3
0.283
GIA-UNK-d2defdc3-7
0.283
MAK-UNK-7c9d1431-23
0.282
MAR-TRE-6a44bbf2-28
0.282
MAK-UNK-10799360-3
0.280
MAK-UNK-df1a028e-4
0.280
MAK-UNK-3e0761f8-1
0.280
MAK-UNK-5d2caa6f-12
0.280
SAD-SAT-2fd372d1-2
0.279
DAN-LON-a5fc619e-5
0.278
SIM-SYN-7db9eb24-2
0.277
MAK-UNK-ec98eaf6-32
0.277
MAK-UNK-3e0761f8-5
0.276
DRR-IMP-38dce17f-3
0.275
MAK-UNK-7c9d1431-24
0.275
MAK-UNK-987948f6-9
0.275
MAK-UNK-3f402c2b-3
0.275
MAK-UNK-987948f6-8
0.274
MAK-UNK-ec98eaf6-44
0.274
MAK-UNK-5d2caa6f-1
0.274
MAK-UNK-af83ef51-2
0.273
MAK-UNK-5d2caa6f-13
0.272
MAK-UNK-5d2caa6f-16
0.272
DUN-NEW-f8ce3686-25
0.271
DAN-LON-a5fc619e-10
0.271
MAK-UNK-ec98eaf6-7
0.269
AAR-POS-d2a4d1df-29
0.268
MAR-TRE-6a44bbf2-61
0.268
MAK-UNK-3f402c2b-8
0.268
NAU-LAT-f723e322-5
0.267
MAK-UNK-10dfa458-39
0.267
DAR-DIA-3e9bbd81-3
0.263
MAK-UNK-90d0606b-9
0.263
MAK-UNK-ec98eaf6-12
0.263
MAK-UNK-ec98eaf6-2
0.262
ZAC-WAB-b0242612-1
0.262
JOH-UNI-c7afdb96-15
0.262
GIA-UNK-3f36037a-5
0.262
BEN-DND-76ad4ac9-9
0.261
BEN-DND-03406596-1
0.261
MED-COV-4280ac29-19
0.260
PAU-WEI-c6d65c11-1
0.260
MAK-UNK-ec98eaf6-45
0.260
MAK-UNK-752736de-12
0.259
GIA-UNK-7337c2f3-5
0.258
AHN-SAT-de2502ba-1
0.258
MAK-UNK-ec98eaf6-43
0.258
GIA-UNK-7337c2f3-8
0.258
AAR-UNI-c25c2f1e-9
0.258
MAK-UNK-90d0606b-2
0.258
MAK-UNK-ec98eaf6-46
0.257
MAK-UNK-942dcb71-18
0.256
GIA-UNK-d2defdc3-2
0.256
PEI-IMP-e4a008a2-1
0.256
SAD-SAT-c989feaa-4
0.255
MAK-UNK-90d0606b-3
0.255
SIM-SYN-f15aaa3a-1
0.253
MAK-UNK-942dcb71-17
0.253
MAK-UNK-df1a028e-5
0.253
GIA-UNK-d2defdc3-9
0.253
YOI-UNK-a533afbc-4
0.252
MAK-UNK-ec98eaf6-11
0.252
YOI-UNK-12211982-4
0.252
DAN-MCD-9b81d1fa-1
0.252
DAN-MCD-1c3944e2-1
0.252
DAN-MCD-b3a5626f-1
0.252
MAK-UNK-af83ef51-5
0.250
DAN-MCD-5390ac8b-1
0.250
MAK-UNK-a7992eb3-2
0.250
SEL-UNI-cd366922-1
0.250
MAK-UNK-15efde89-1
0.250
MAK-UNK-3f402c2b-20
0.250
SAD-SAT-29425be4-29
0.250
DAN-LON-a5fc619e-8
0.250
ALE-UNK-fca05062-4
0.250
MAK-UNK-10799360-32
0.248
MAK-UNK-10799360-19
0.248
MAK-UNK-5d2caa6f-14
0.248
MAK-UNK-ec98eaf6-49
0.248