MMsINC Database Search


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MMsINC code: MMs03148110

Type: Neutral
Formula: C₂₀H₁₉N

SMILES:

N(Cc1ccc(cc1)-c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H19N/c1-3-7-17(8-4-1)15-21-16-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4575 kcal/mol

Physical Properties
Molecular Weight: 273.379 g/mol	logS: -5.31966	SlogP: 5.1762	Reactive groups: 0

Topological Properties
Globularity: 0.0851479	Sterimol/B1: 2.32199	Sterimol/B2: 3.61385	Sterimol/B3: 3.70573
Sterimol/B4: 6.02673	Sterimol/L: 17.6505

Surface and Volume Properties
Accessible surface: 567.971	Positive charged surface: 311.1	Negative charged surface: 246.325	Volume: 296.125
Hydrophobic surface: 544.747	Hydrophilic surface: 23.224

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

MMs03148111
PUBCHEM-ZINC04656781