MMsINC Database Search


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MMsINC code: MMs02330916

Type: Neutral
Formula: C₁₅H₁₉NO

SMILES:

Oc1ccc2c(cccc2)c1CNC(C)(C)C

InChI:

InChI=1/C15H19NO/c1-15(2,3)16-10-13-12-7-5-4-6-11(12)8-9-14(13)17/h4-9,16-17H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6891 kcal/mol

Physical Properties
Molecular Weight: 229.323 g/mol	logS: -3.62294	SlogP: 3.6999	Reactive groups: 0

Topological Properties
Globularity: 0.0891527	Sterimol/B1: 2.4971	Sterimol/B2: 3.40624	Sterimol/B3: 4.16909
Sterimol/B4: 6.65513	Sterimol/L: 12.6334

Surface and Volume Properties
Accessible surface: 459.887	Positive charged surface: 274.305	Negative charged surface: 174.601	Volume: 245.625
Hydrophobic surface: 356.245	Hydrophilic surface: 103.642

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02330917
NCID-ZINC01701326