MMsINC Database Search


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MMsINC code: MMs00075878

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O(C)c1cc(ccc1)CN1CCN(CC1)Cc1ccc(cc1)C

InChI:

InChI=1/C20H26N2O/c1-17-6-8-18(9-7-17)15-21-10-12-22(13-11-21)16-19-4-3-5-20(14-19)23-2/h3-9,14H,10-13,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.645 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -3.59526	SlogP: 3.85422	Reactive groups: 0

Topological Properties
Globularity: 0.0762932	Sterimol/B1: 2.45375	Sterimol/B2: 3.33112	Sterimol/B3: 4.20146
Sterimol/B4: 7.69354	Sterimol/L: 17.9502

Surface and Volume Properties
Accessible surface: 605.457	Positive charged surface: 447.594	Negative charged surface: 157.863	Volume: 334.5
Hydrophobic surface: 580.863	Hydrophilic surface: 24.594

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00075879
ASINEX-ZINC00105612