MMsINC Database Search


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MMsINC code: MMs02323790

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

[nH]1c2c(cccc2)c(C)c1C(C)c1[nH]c2c(cccc2)c1C

InChI:

InChI=1/C20H20N2/c1-12-15-8-4-6-10-17(15)21-19(12)14(3)20-13(2)16-9-5-7-11-18(16)22-20/h4-11,14,21-22H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.691 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -4.59616	SlogP: 5.41784	Reactive groups: 0

Topological Properties
Globularity: 0.154871	Sterimol/B1: 2.12148	Sterimol/B2: 2.60604	Sterimol/B3: 5.2876
Sterimol/B4: 7.16996	Sterimol/L: 15.0329

Surface and Volume Properties
Accessible surface: 542.896	Positive charged surface: 301.381	Negative charged surface: 231.183	Volume: 301.125
Hydrophobic surface: 505.27	Hydrophilic surface: 37.626

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: 1

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Ions/Tautomers related molecules: no related molecules available.