MMsINC Database Search


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MMsINC code: MMs02251870

Type: Neutral
Formula: C₁₈H₂₀N₂O

SMILES:

O(Cc1ccccc1)c1cc2[nH]cc(c2cc1)CN(C)C

InChI:

InChI=1/C18H20N2O/c1-20(2)12-15-11-19-18-10-16(8-9-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7057 kcal/mol

Physical Properties
Molecular Weight: 280.371 g/mol	logS: -3.36451	SlogP: 4.3413	Reactive groups: 0

Topological Properties
Globularity: 0.0535632	Sterimol/B1: 2.5103	Sterimol/B2: 4.03672	Sterimol/B3: 4.9165
Sterimol/B4: 5.00541	Sterimol/L: 17.7239

Surface and Volume Properties
Accessible surface: 553.949	Positive charged surface: 383.578	Negative charged surface: 166.349	Volume: 293.5
Hydrophobic surface: 494.778	Hydrophilic surface: 59.171

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02251871
NCID-ZINC01598256