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MMsINC code: MMs00569319

Type: Neutral
Formula: C₂₃H₃₅NO₃

SMILES:

O(C(=O)CCCC(=O)NCCc1ccccc1)C1CCC(CC1)C(C)(C)C

InChI:

InChI=1/C23H35NO3/c1-23(2,3)19-12-14-20(15-13-19)27-22(26)11-7-10-21(25)24-17-16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,7,10-17H2,1-3H3,(H,24,25)/t19-,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8855 kcal/mol

Physical Properties
Molecular Weight: 373.537 g/mol	logS: -5.49828	SlogP: 4.66367	Reactive groups: 1

Topological Properties
Globularity: 0.0262171	Sterimol/B1: 3.49888	Sterimol/B2: 3.71376	Sterimol/B3: 3.93119
Sterimol/B4: 4.25581	Sterimol/L: 24.2497

Surface and Volume Properties
Accessible surface: 726.418	Positive charged surface: 503.219	Negative charged surface: 223.199	Volume: 396
Hydrophobic surface: 595.691	Hydrophilic surface: 130.727

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.