MMsINC Database Search


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MMsINC code: MMs02374916

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

Oc1c2[nH]c3c(c2cc(C)c1-c1c(cc2c([nH]c4c2cccc4)c1O)C)cccc3

InChI:

InChI=1/C26H20N2O2/c1-13-11-17-15-7-3-5-9-19(15)27-23(17)25(29)21(13)22-14(2)12-18-16-8-4-6-10-20(16)28-24(18)26(22)30/h3-12,27-30H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.895 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -8.30836	SlogP: 6.65064	Reactive groups: 0

Topological Properties
Globularity: 0.0856651	Sterimol/B1: 2.43051	Sterimol/B2: 2.44186	Sterimol/B3: 5.67924
Sterimol/B4: 6.07781	Sterimol/L: 19.9842

Surface and Volume Properties
Accessible surface: 645.467	Positive charged surface: 350.182	Negative charged surface: 272.593	Volume: 378
Hydrophobic surface: 536.839	Hydrophilic surface: 108.628

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.