MMsINC Database Search


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MMsINC code: MMs02335239

Type: Neutral
Formula: C₂₀H₂₆N₂

SMILES:

N1(CCN(CC1(C)C)Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H26N2/c1-20(2)17-21(15-18-9-5-3-6-10-18)13-14-22(20)16-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.863 kcal/mol

Physical Properties
Molecular Weight: 294.442 g/mol	logS: -3.72538	SlogP: 4.3158	Reactive groups: 0

Topological Properties
Globularity: 0.114685	Sterimol/B1: 2.42943	Sterimol/B2: 3.30675	Sterimol/B3: 4.02184
Sterimol/B4: 8.2856	Sterimol/L: 14.8966

Surface and Volume Properties
Accessible surface: 563.123	Positive charged surface: 365.541	Negative charged surface: 197.583	Volume: 320.75
Hydrophobic surface: 519.12	Hydrophilic surface: 44.003

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02335241
NCID-ZINC01706796