Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2ccccc2[C@H](c2cc(F)cnc2CNC(=O)N2CCOCC2)C1 |
MW: | 446.91 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 74.77 |
cLogP: | 2.4754 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-caba39e3-12
0.758
TAM-UNI-d1c3dd9f-7
0.559
DAR-DIA-caba39e3-7
0.465
NIR-THE-c331be7a-4
0.443
MIH-UNI-e573136b-9
0.443
AAR-POS-0daf6b7e-14
0.430
DAR-DIA-caba39e3-1
0.429
DAR-DIA-caba39e3-6
0.426
DAR-DIA-caba39e3-9
0.421
DAR-DIA-caba39e3-8
0.410
DAR-DIA-fb20be43-17
0.400
DAR-DIA-caba39e3-3
0.396
NIR-THE-c331be7a-2
0.392
DAR-DIA-caba39e3-11
0.392
DAR-DIA-caba39e3-5
0.390
DAR-DIA-caba39e3-10
0.388
TAM-UNI-d1c3dd9f-10
0.387
NIR-THE-c331be7a-6
0.386
NIR-THE-c331be7a-1
0.386
DAR-DIA-caba39e3-2
0.385
DAR-DIA-caba39e3-4
0.380
JAR-IMP-ed466bb3-2
0.377
DAR-DIA-fb20be43-18
0.375
JAN-LUN-04aedcc0-6
0.375
TAM-UNI-d1c3dd9f-8
0.372
IND-SYN-6c8299e8-3
0.370
NIR-THE-c331be7a-3
0.358
MAK-UNK-702fb7d3-14
0.358
MAK-UNK-702fb7d3-12
0.355
DAV-CRI-3fe943ba-1
0.354
DAV-CRI-3fe943ba-2
0.351
MAK-UNK-10799360-19
0.348
TAM-UNI-d1c3dd9f-12
0.343
NIR-THE-c331be7a-5
0.342
MIH-UNI-e573136b-12
0.342
TAM-UNI-d1c3dd9f-3
0.342
TAM-UNI-d1c3dd9f-11
0.341
PET-SGC-cb83a00c-1
0.327
MAK-UNK-ec98eaf6-25
0.325
MAK-UNK-10799360-12
0.325
MIH-UNI-e573136b-10
0.324
TAM-UNI-d1c3dd9f-21
0.321
JAR-IMP-ed466bb3-8
0.321
MAK-UNK-702fb7d3-13
0.319
DAR-DIA-fb20be43-16
0.319
TAM-UNI-d1c3dd9f-1
0.319
STU-CHA-6cae54d3-1
0.319
THO-SYG-4e0386bb-1
0.318
PAT-GYR-de8eec61-4
0.317
MIH-UNI-e573136b-15
0.312
MIH-UNI-e573136b-11
0.308
PAT-GYR-359dbb24-2
0.307
SEA-TRI-38830027-1
0.306
PAT-GYR-de8eec61-7
0.304
JAR-IMP-ed466bb3-7
0.304
PAT-GYR-359dbb24-1
0.300
AAR-POS-d2a4d1df-21
0.300
SEA-TRI-fac72a44-1
0.299
MAK-UNK-702fb7d3-17
0.298
PAU-WEI-f734c343-2
0.295
MAK-UNK-702fb7d3-1
0.294
SAL-INS-1c7a5a55-1
0.293
SAL-INS-1c7a5a55-2
0.293
PAT-GYR-de8eec61-5
0.292
MAT-POS-7174c657-3
0.291
PAT-GYR-359dbb24-5
0.290
RAI-NOV-2f6a9876-6
0.289
PAT-GYR-359dbb24-4
0.288
SAD-SAT-f25ee457-9
0.288
JAR-IMP-ed466bb3-12
0.286
PAT-GYR-de8eec61-1
0.286
SAD-SAT-f25ee457-3
0.285
JAR-IMP-ed466bb3-4
0.283
PAT-GYR-de8eec61-3
0.282
PAT-GYR-de8eec61-6
0.282
JAR-IMP-ed466bb3-6
0.281
PAT-GYR-359dbb24-3
0.280
MAK-UNK-702fb7d3-21
0.280
WIL-LEE-1f71e281-1
0.279
REN-UFA-aaaed2d6-5
0.278
PAT-GYR-de8eec61-2
0.278
JAN-LUN-04aedcc0-5
0.277
RAI-NOV-a7d52b4a-5
0.277
MAK-UNK-702fb7d3-10
0.277
MAK-UNK-702fb7d3-3
0.276
MAK-UNK-702fb7d3-9
0.276
PET-SGC-276eba5a-1
0.274
SCO-VAN-260d9628-4
0.274
JOH-MSK-2d8052dc-1
0.273
RAI-NOV-a7d52b4a-4
0.273
SAL-INS-1c7a5a55-3
0.273
DAV-CRI-1c77f7a9-8
0.273
JAN-LUN-04aedcc0-7
0.272
MAK-UNK-702fb7d3-19
0.271
REN-UFA-aaaed2d6-3
0.270
SAD-SAT-1f400d17-9
0.270
SAL-INS-1c7a5a55-5
0.269
SAD-SAT-f25ee457-2
0.269
SAD-SAT-f25ee457-4
0.269
SAL-INS-1c7a5a55-4
0.268