MMsINC Database Search


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MMsINC code: MMs00833770

Type: Neutral
Formula: C₂₀H₂₀N₂O

SMILES:

O(Cc1ccccc1)c1ccccc1CNCc1cccnc1

InChI:

InChI=1/C20H20N2O/c1-2-7-17(8-3-1)16-23-20-11-5-4-10-19(20)15-22-14-18-9-6-12-21-13-18/h1-13,22H,14-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9432 kcal/mol

Physical Properties
Molecular Weight: 304.393 g/mol	logS: -3.45342	SlogP: 4.7496	Reactive groups: 0

Topological Properties
Globularity: 0.135455	Sterimol/B1: 2.52769	Sterimol/B2: 3.22366	Sterimol/B3: 3.7337
Sterimol/B4: 11.0426	Sterimol/L: 13.8951

Surface and Volume Properties
Accessible surface: 590.717	Positive charged surface: 379.853	Negative charged surface: 210.864	Volume: 317.375
Hydrophobic surface: 550.034	Hydrophilic surface: 40.683

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00833771
CHEMDIV-ZINC00119153