MMsINC Database Search


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MMsINC code: MMs02990084

Type: Neutral
Formula: C₂₆H₂₃NO

SMILES:

OC(C(Nc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H23NO/c28-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)27-24-19-11-4-12-20-24/h1-20,25,27-28H/t25-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.913 kcal/mol

Physical Properties
Molecular Weight: 365.476 g/mol	logS: -6.2825	SlogP: 6.1829	Reactive groups: 0

Topological Properties
Globularity: 0.279001	Sterimol/B1: 2.52278	Sterimol/B2: 3.47275	Sterimol/B3: 5.46064
Sterimol/B4: 11.6042	Sterimol/L: 14.6184

Surface and Volume Properties
Accessible surface: 623.937	Positive charged surface: 346.981	Negative charged surface: 276.956	Volume: 381
Hydrophobic surface: 602.78	Hydrophilic surface: 21.157

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