MMsINC Database Search


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MMsINC code: MMs02410602

Type: Neutral
Formula: C₂₆H₂₃NO

SMILES:

OC(c1ccccc1CNc1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H23NO/c28-26(22-13-4-1-5-14-22,23-15-6-2-7-16-23)25-19-11-10-12-21(25)20-27-24-17-8-3-9-18-24/h1-19,27-28H,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.965 kcal/mol

Physical Properties
Molecular Weight: 365.476 g/mol	logS: -6.25606	SlogP: 6.1608	Reactive groups: 0

Topological Properties
Globularity: 0.276171	Sterimol/B1: 2.4287	Sterimol/B2: 3.58466	Sterimol/B3: 6.26251
Sterimol/B4: 8.69873	Sterimol/L: 14.6708

Surface and Volume Properties
Accessible surface: 582.963	Positive charged surface: 342.9	Negative charged surface: 240.063	Volume: 372
Hydrophobic surface: 560.093	Hydrophilic surface: 22.87

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.