MMsINC Database Search


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MMsINC code: MMs01315822

Type: Neutral
Formula: C₂₆H₂₇NO₃

SMILES:

O(C(=O)CC(c1ccccc1)c1ccccc1)CC(=O)N(C(C)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.561 kcal/mol

Physical Properties
Molecular Weight: 401.506 g/mol	logS: -5.89732	SlogP: 5.1934	Reactive groups: 1

Topological Properties
Globularity: 0.0670522	Sterimol/B1: 3.84863	Sterimol/B2: 4.29995	Sterimol/B3: 4.69389
Sterimol/B4: 7.43053	Sterimol/L: 19.2295

Surface and Volume Properties
Accessible surface: 706.128	Positive charged surface: 412.492	Negative charged surface: 293.636	Volume: 405.375
Hydrophobic surface: 616.129	Hydrophilic surface: 89.999

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.