Molecular Properties | |
SMILES: | CCc1ccccc1NC(=O)COc1ccc(NC(=O)C2CC2)cn1 |
MW: | 339.16 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.32 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
KEI-TRE-d5e2018a-98
0.430
MAR-TRE-3e4e6814-82
0.391
AAR-POS-5507155c-2
0.379
LON-WEI-120e5cf5-17
0.379
LON-WEI-120e5cf5-1
0.379
AAR-POS-f650c5f2-4
0.379
MAR-TRE-f6f5f473-39
0.367
MAR-TRE-4b834d9a-56
0.358
MAR-TRE-6a44bbf2-97
0.354
MAR-TRE-9c797165-10
0.348
MAR-TRE-d0525fbf-53
0.337
AAR-UNI-c25c2f1e-77
0.337
MAR-TRE-04c86cea-85
0.333
MAR-TRE-f6f5f473-81
0.333
MAR-TRE-4b834d9a-75
0.330
MAR-TRE-6a44bbf2-27
0.330
MAR-TRE-04c86cea-84
0.322
MAR-TRE-04c86cea-48
0.322
MAR-TRE-04c86cea-19
0.315
MAR-TRE-f6f5f473-80
0.315
MAR-TRE-4b834d9a-48
0.315
MAR-TRE-67513f76-75
0.313
MAR-TRE-f6f5f473-37
0.312
MAR-TRE-4b834d9a-100
0.308
MAR-TRE-7f7bb9f0-86
0.303
MAR-TRE-d0525fbf-63
0.301
MAR-TRE-3e4e6814-96
0.301
MAR-TRE-f6f5f473-63
0.297
MAR-TRE-7f7bb9f0-26
0.296
MAR-TRE-74c6519b-29
0.293
MAR-TRE-3e4e6814-54
0.290
MAR-TRE-74c6519b-32
0.287
MAR-TRE-04c86cea-22
0.287
MAR-TRE-b77b7921-75
0.278
MAR-TRE-7f7bb9f0-67
0.278
MAR-TRE-f6f5f473-60
0.277
MAR-TRE-67513f76-85
0.277
MAR-TRE-3e4e6814-58
0.277
BAR-COM-5694a99d-5
0.276
MAR-TRE-d0525fbf-87
0.274
MAK-UNK-90d0606b-10
0.273
MAR-TRE-9c797165-77
0.270
MAR-TRE-9c797165-4
0.269
MAR-TRE-9c797165-86
0.269
JAG-SYN-9c2cd0bd-14
0.267
BAR-COM-5694a99d-3
0.265
MAR-TRE-f6f5f473-73
0.265
MAR-TRE-74c6519b-24
0.265
MAK-UNK-a7992eb3-8
0.265
MAR-TRE-9c797165-44
0.264
MAR-TRE-7f7bb9f0-21
0.263
MAR-TRE-74c6519b-50
0.263
MAR-TRE-f5c2d31c-66
0.262
BEN-DND-031a96cc-5
0.261
MAR-TRE-9c797165-84
0.261
LON-WEI-120e5cf5-11
0.261
MAR-TRE-9d18ae8c-70
0.260
MAR-TRE-3e4e6814-23
0.260
JAG-SYN-9c2cd0bd-7
0.258
MAK-UNK-c97f7c8f-2
0.258
SAD-SAT-689b7d5a-5
0.258
AAR-UNI-c25c2f1e-75
0.258
SAM-UNK-2684b532-8
0.257
MAR-TRE-67513f76-84
0.257
MAR-TRE-3e4e6814-74
0.257
KOV-VNK-5e1a909f-27
0.256
MAR-TRE-67513f76-17
0.255
MAR-TRE-67513f76-24
0.255
MAR-TRE-b77b7921-9
0.255
JAG-SYN-9c2cd0bd-9
0.253
MAR-TRE-9c797165-80
0.253
MAR-TRE-67513f76-96
0.253
BAR-COM-5694a99d-2
0.253
MAR-TRE-4b834d9a-58
0.252
BAR-COM-5694a99d-1
0.250
MAR-TRE-f6f5f473-77
0.250
MAR-TRE-9c797165-13
0.250
LON-WEI-120e5cf5-15
0.250
MAR-TRE-2fd8122f-64
0.250
MAR-TRE-6a44bbf2-86
0.250
MAR-TRE-f6f5f473-76
0.248
BEN-DND-031a96cc-4
0.247
MAR-TRE-66ac689e-40
0.245
JIA-UNI-12b1f9ae-1
0.245
JAG-SYN-9c2cd0bd-8
0.244
MAR-TRE-2fd8122f-27
0.244
MAK-UNK-748f8b7a-14
0.244
MAR-TRE-f6f5f473-14
0.243
MAR-TRE-2fd8122f-19
0.243
BAR-COM-5694a99d-4
0.242
SID-ELM-8b394441-17
0.242
MAR-TRE-d0525fbf-90
0.242
MAR-TRE-4b834d9a-78
0.242
AAR-POS-0daf6b7e-6
0.242
MAR-TRE-6a44bbf2-15
0.242
MAR-TRE-04c86cea-31
0.240
MAR-TRE-74c6519b-91
0.240
MAR-TRE-2fd8122f-18
0.240
MAR-TRE-9d18ae8c-14
0.240
SAD-SAT-29425be4-10
0.239