MMsINC Database Search


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MMsINC code: MMs00056822

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

OCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H20N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,26H,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.32 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -5.11075	SlogP: 4.7935	Reactive groups: 0

Topological Properties
Globularity: 0.647765	Sterimol/B1: 2.39159	Sterimol/B2: 5.96272	Sterimol/B3: 6.10693
Sterimol/B4: 8.22017	Sterimol/L: 13.3445

Surface and Volume Properties
Accessible surface: 573.685	Positive charged surface: 357.109	Negative charged surface: 216.576	Volume: 341.5
Hydrophobic surface: 493.129	Hydrophilic surface: 80.556

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.