MMsINC Database Search


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MMsINC code: MMs03212351

Type: Neutral
Formula: C₁₈H₂₂N₂

SMILES:

N(C)(C)c1cc2Cc3cc(N(C)C)ccc3Cc2cc1

InChI:

InChI=1/C18H22N2/c1-19(2)17-7-5-13-9-14-6-8-18(20(3)4)12-16(14)10-15(13)11-17/h5-8,11-12H,9-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6009 kcal/mol

Physical Properties
Molecular Weight: 266.388 g/mol	logS: -3.82696	SlogP: 3.31354	Reactive groups: 0

Topological Properties
Globularity: 0.0288649	Sterimol/B1: 2.09309	Sterimol/B2: 4.08558	Sterimol/B3: 4.12037
Sterimol/B4: 4.67904	Sterimol/L: 16.1903

Surface and Volume Properties
Accessible surface: 527.905	Positive charged surface: 431.63	Negative charged surface: 96.2749	Volume: 291.25
Hydrophobic surface: 527.441	Hydrophilic surface: 0.46399999999994

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.