MMsINC Database Search


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MMsINC code: MMs03130037

Type: Neutral
Formula: C₂₆H₂₃NO₂

SMILES:

O(C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1nc(ccc1)CO

InChI:

InChI=1/C26H23NO2/c28-19-24-17-10-18-25(27-24)20-29-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-18,28H,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.804 kcal/mol

Physical Properties
Molecular Weight: 381.475 g/mol	logS: -5.6235	SlogP: 5.9269	Reactive groups: 0

Topological Properties
Globularity: 0.313763	Sterimol/B1: 2.30116	Sterimol/B2: 2.68013	Sterimol/B3: 9.11959
Sterimol/B4: 9.23689	Sterimol/L: 16.1346

Surface and Volume Properties
Accessible surface: 653.369	Positive charged surface: 394.137	Negative charged surface: 259.232	Volume: 384.375
Hydrophobic surface: 582.259	Hydrophilic surface: 71.11

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.