MMsINC Database Search


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MMsINC code: MMs01151605

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)CC(=O)NCc1c2c(ccnc2)c(cc1)-c1ccc(cc1)C

InChI:

InChI=1/C26H24N2O2/c1-18-3-7-20(8-4-18)23-12-9-21(25-17-27-14-13-24(23)25)16-28-26(29)15-19-5-10-22(30-2)11-6-19/h3-14,17H,15-16H2,1-2H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.337 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.9308	SlogP: 5.34409	Reactive groups: 0

Topological Properties
Globularity: 0.0278735	Sterimol/B1: 2.69912	Sterimol/B2: 3.41535	Sterimol/B3: 4.42041
Sterimol/B4: 6.24252	Sterimol/L: 23.508

Surface and Volume Properties
Accessible surface: 716.566	Positive charged surface: 471.942	Negative charged surface: 231.959	Volume: 397.75
Hydrophobic surface: 646.988	Hydrophilic surface: 69.578

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.