MMsINC Database Search


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MMsINC code: MMs00756699

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

o1cccc1C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C23H20N2O/c1-14-21(16-8-3-5-10-18(16)24-14)23(20-12-7-13-26-20)22-15(2)25-19-11-6-4-9-17(19)22/h3-13,23-25H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3643 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -5.78842	SlogP: 6.03924	Reactive groups: 0

Topological Properties
Globularity: 0.261311	Sterimol/B1: 2.28704	Sterimol/B2: 6.36244	Sterimol/B3: 6.5046
Sterimol/B4: 7.11517	Sterimol/L: 13.3143

Surface and Volume Properties
Accessible surface: 563.878	Positive charged surface: 323.031	Negative charged surface: 235.293	Volume: 338.125
Hydrophobic surface: 511.754	Hydrophilic surface: 52.124

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.