MMsINC Database Search


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MMsINC code: MMs00887677

Type: Neutral
Formula: C₁₅H₂₀N₂O

SMILES:

O=C(NCCC)c1cc2c(n(C)c(C)c2C)cc1

InChI:

InChI=1/C15H20N2O/c1-5-8-16-15(18)12-6-7-14-13(9-12)10(2)11(3)17(14)4/h6-7,9H,5,8H2,1-4H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0273 kcal/mol

Physical Properties
Molecular Weight: 244.338 g/mol	logS: -2.71776	SlogP: 3.29414	Reactive groups: 0

Topological Properties
Globularity: 0.0141618	Sterimol/B1: 2.51326	Sterimol/B2: 2.51329	Sterimol/B3: 4.60976
Sterimol/B4: 4.633	Sterimol/L: 16.5029

Surface and Volume Properties
Accessible surface: 517.395	Positive charged surface: 347.075	Negative charged surface: 163.781	Volume: 260.875
Hydrophobic surface: 444.169	Hydrophilic surface: 73.226

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.