MMsINC Database Search


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MMsINC code: MMs02214506

Type: Neutral
Formula: C₁₄H₂₀N₂O

SMILES:

O=C(N(C)C1CCCCC1)c1ccccc1N

InChI:

InChI=1/C14H20N2O/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15/h5-6,9-11H,2-4,7-8,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7214 kcal/mol

Physical Properties
Molecular Weight: 232.327 g/mol	logS: -2.61704	SlogP: 2.6735	Reactive groups: 0

Topological Properties
Globularity: 0.0811595	Sterimol/B1: 2.1857	Sterimol/B2: 3.14648	Sterimol/B3: 4.48033
Sterimol/B4: 5.4155	Sterimol/L: 14.3053

Surface and Volume Properties
Accessible surface: 455.473	Positive charged surface: 326.636	Negative charged surface: 128.837	Volume: 243.625
Hydrophobic surface: 381.544	Hydrophilic surface: 73.929

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.