MMsINC Database Search


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MMsINC code: MMs00730188

Type: Neutral
Formula: C₂₆H₃₁NO₃

SMILES:

O(C(=O)c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1

InChI:

InChI=1/C26H31NO3/c28-25(27(20-12-4-1-5-13-20)21-14-6-2-7-15-21)23-18-10-11-19-24(23)26(29)30-22-16-8-3-9-17-22/h3,8-11,16-21H,1-2,4-7,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=337.193 kcal/mol

Physical Properties
Molecular Weight: 405.538 g/mol	logS: -6.48136	SlogP: 6.0134	Reactive groups: 0

Topological Properties
Globularity: 0.108651	Sterimol/B1: 3.49031	Sterimol/B2: 4.19983	Sterimol/B3: 5.47592
Sterimol/B4: 7.5061	Sterimol/L: 16.6751

Surface and Volume Properties
Accessible surface: 650.061	Positive charged surface: 425.881	Negative charged surface: 224.18	Volume: 407.5
Hydrophobic surface: 619.622	Hydrophilic surface: 30.439

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.