MMsINC Database Search


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MMsINC code: MMs01177232

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cc(cc2)C)c(c1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C26H24N2O2/c1-17-9-14-24-22(15-17)23(26(29)27-18(2)19-7-5-4-6-8-19)16-25(28-24)20-10-12-21(30-3)13-11-20/h4-16,18H,1-3H3,(H,27,29)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.049 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.13414	SlogP: 5.80532	Reactive groups: 0

Topological Properties
Globularity: 0.0536609	Sterimol/B1: 2.54515	Sterimol/B2: 3.15993	Sterimol/B3: 4.25015
Sterimol/B4: 13.5396	Sterimol/L: 15.5888

Surface and Volume Properties
Accessible surface: 707.729	Positive charged surface: 416.124	Negative charged surface: 280.421	Volume: 399
Hydrophobic surface: 634.49	Hydrophilic surface: 73.239

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.