Molecular Properties | |
SMILES: | COc1cc(Cl)cc(OC(=O)Nn2cnc3ccccc32)c1 |
MW: | 317.06 |
Fraction sp3: | 0.07 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.38 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
carbamate include di-substitued N
Phenylester
JAN-GHE-f4ca5a00-8
0.640
MAT-POS-3b92565d-11
0.610
BAR-COM-0f94fc3d-12
0.500
MAT-POS-3b92565d-10
0.500
JAN-GHE-5a013bed-2
0.474
ALP-POS-8ed8d9ec-3
0.452
MAT-POS-c478e61b-1
0.447
MAT-POS-3b92565d-12
0.447
BAR-COM-0f94fc3d-24
0.429
AGN-NEW-891393a6-1
0.412
JAN-GHE-f4ca5a00-9
0.411
KRI-MAR-d2e3ef86-2
0.407
MAT-POS-06036648-8
0.402
JAN-GHE-f4ca5a00-1
0.398
JAN-GHE-f4ca5a00-3
0.398
BAR-COM-0f94fc3d-32
0.396
JAN-GHE-f4ca5a00-6
0.393
MAT-POS-0d6fb2dd-1
0.386
MAT-POS-6c3d76b3-1
0.386
BAR-COM-0f94fc3d-42
0.380
MAT-POS-c478e61b-2
0.376
BAR-COM-0f94fc3d-10
0.375
BAR-COM-0f94fc3d-37
0.354
ALP-POS-a3de0cb1-12
0.346
MAT-POS-06036648-9
0.344
ALP-POS-bad7201a-7
0.340
BAR-COM-0f94fc3d-8
0.337
ALP-POS-a3de0cb1-7
0.333
BAR-COM-0f94fc3d-29
0.333
TAT-ENA-80bfd3e5-33
0.321
ALP-POS-bad7201a-8
0.320
BEN-DND-02317c5c-11
0.303
JIN-POS-6dc588a4-1
0.303
BEN-DND-61647d40-13
0.303
ALP-POS-8ed8d9ec-9
0.303
ALP-POS-8ed8d9ec-14
0.300
MAT-POS-06036648-6
0.295
JAN-GHE-5a013bed-3
0.293
JAN-GHE-74b8b0cb-1
0.292
DAR-DIA-093892e4-3
0.292
MAT-POS-06036648-2
0.288
MAT-POS-06036648-4
0.288
JAN-GHE-74b8b0cb-2
0.274
RAL-THA-2d450e86-18
0.268
MAT-POS-3b92565d-2
0.268
ALP-POS-3b848b35-1
0.268
JAN-GHE-f4ca5a00-10
0.267
MAT-POS-3b92565d-8
0.265
MAT-POS-06036648-7
0.265
AAR-POS-8a4e0f60-6
0.262
KRI-MAR-d2e3ef86-19
0.257
UNK-UNK-2ede4078-25
0.257
JAN-GHE-f4ca5a00-5
0.257
TAT-ENA-80bfd3e5-19
0.255
JAN-GHE-f4ca5a00-2
0.255
CHO-MSK-00c5269a-2
0.252
MAT-POS-c79fcd02-1
0.252
MAT-POS-3b92565d-5
0.248
MAT-POS-bfb445d4-2
0.247
AGN-NEW-891393a6-2
0.247
DAR-DIA-667e571f-1
0.245
MAT-POS-0c8fa4a7-2
0.245
MAT-POS-c9973a83-1
0.245
EDJ-MED-6e43a462-2
0.242
BEN-DND-61647d40-3
0.242
MAR-TRE-3159af1a-33
0.242
MAR-TRE-b77b7921-55
0.241
MAT-POS-162a9720-10
0.238
DAR-DIA-9f765dc6-14
0.237
DAR-DIA-9f765dc6-15
0.237
DAR-DIA-9f765dc6-13
0.237
CHO-MSK-6e55470f-24
0.236
EDJ-MED-06d94977-2
0.235
MAR-TRE-a9136c7b-45
0.232
MAT-POS-bfb445d4-1
0.232
BEN-DND-02317c5c-12
0.232
BEN-DND-61647d40-12
0.232
MAT-POS-3b92565d-14
0.232
NAU-LAT-a5c7d7cb-11
0.229
MAR-TRE-fd17a9b8-41
0.227
UNK-UNK-2ede4078-66
0.227
MAT-POS-3b92565d-13
0.224
BAR-COM-655b106d-3
0.224
BAR-COM-655b106d-4
0.223
EDJ-MED-7bb79bc5-1
0.223
EDJ-MED-50011917-3
0.223
UNK-UNK-2ede4078-100
0.222
DAR-DIA-667e571f-3
0.221
AGN-NEW-891393a6-4
0.221
MAR-TRE-d0525fbf-79
0.220
EDJ-MED-c8e7a002-3
0.220
UNK-UNK-2ede4078-94
0.220
MAT-POS-3b92565d-7
0.220
MAT-POS-53907a1c-1
0.220
DAR-DIA-093892e4-7
0.219
EDJ-MED-50fe53e8-3
0.219
DAR-DIA-667e571f-5
0.219
DAR-DIA-ecdbc7dd-6
0.219
DAR-DIA-9f765dc6-16
0.218
DAR-DIA-9f765dc6-18
0.218