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MMsINC code: MMs02488049

Type: Neutral
Formula: C₁₄H₂₀N₂O

SMILES:

O\N=C(\C)/C1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C14H20N2O/c1-12(15-17)14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14,17H,7-11H2,1H3/b15-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3057 kcal/mol

Physical Properties
Molecular Weight: 232.327 g/mol	logS: -1.71912	SlogP: 3.0151	Reactive groups: 0

Topological Properties
Globularity: 0.123637	Sterimol/B1: 2.26912	Sterimol/B2: 3.31037	Sterimol/B3: 4.0511
Sterimol/B4: 5.99331	Sterimol/L: 14.1254

Surface and Volume Properties
Accessible surface: 481.25	Positive charged surface: 338.61	Negative charged surface: 142.64	Volume: 248.125
Hydrophobic surface: 405.512	Hydrophilic surface: 75.738

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02488050
NCID-ZINC05707198