MMsINC Database Search


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MMsINC code: MMs01374721

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)Cc1c2c([nH]c1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3554 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -5.41818	SlogP: 4.71167	Reactive groups: 0

Topological Properties
Globularity: 0.12055	Sterimol/B1: 2.48188	Sterimol/B2: 3.60927	Sterimol/B3: 4.47084
Sterimol/B4: 8.9314	Sterimol/L: 15.6031

Surface and Volume Properties
Accessible surface: 629.293	Positive charged surface: 347.157	Negative charged surface: 278.238	Volume: 346.75
Hydrophobic surface: 559.288	Hydrophilic surface: 70.005

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.