MMsINC Database Search


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MMsINC code: MMs03463160

Type: Neutral
Formula: C₁₅H₂₀N₂O

SMILES:

O=C(N(C(C)C)C(C)C)c1[nH]c2c(c1)cccc2

InChI:

InChI=1/C15H20N2O/c1-10(2)17(11(3)4)15(18)14-9-12-7-5-6-8-13(12)16-14/h5-11,16H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.495 kcal/mol

Physical Properties
Molecular Weight: 244.338 g/mol	logS: -3.17668	SlogP: 3.4269	Reactive groups: 0

Topological Properties
Globularity: 0.0930179	Sterimol/B1: 2.45745	Sterimol/B2: 3.63675	Sterimol/B3: 4.72057
Sterimol/B4: 5.09922	Sterimol/L: 14.0586

Surface and Volume Properties
Accessible surface: 458.047	Positive charged surface: 267.082	Negative charged surface: 186.268	Volume: 252.375
Hydrophobic surface: 353.05	Hydrophilic surface: 104.997

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.