MMsINC Database Search


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MMsINC code: MMs01178269

Type: Neutral
Formula: C₂₆H₂₇NO₃

SMILES:

O(C(=O)c1ccccc1C(=O)N(Cc1ccccc1C)CCCc1ccccc1)C

InChI:

InChI=1/C26H27NO3/c1-20-11-6-7-15-22(20)19-27(18-10-14-21-12-4-3-5-13-21)25(28)23-16-8-9-17-24(23)26(29)30-2/h3-9,11-13,15-17H,10,14,18-19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.662 kcal/mol

Physical Properties
Molecular Weight: 401.506 g/mol	logS: -6.07971	SlogP: 5.32319	Reactive groups: 0

Topological Properties
Globularity: 0.211702	Sterimol/B1: 3.6184	Sterimol/B2: 4.80245	Sterimol/B3: 6.67056
Sterimol/B4: 7.03831	Sterimol/L: 16.3779

Surface and Volume Properties
Accessible surface: 689.233	Positive charged surface: 437.274	Negative charged surface: 251.959	Volume: 409.375
Hydrophobic surface: 655.009	Hydrophilic surface: 34.224

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.