MMsINC Database Search


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MMsINC code: MMs00601530

Type: Neutral
Formula: C₁₅H₂₄N₂O

SMILES:

O=C(Nc1ccccc1)N(CC(C)C)CC(C)C

InChI:

InChI=1/C15H24N2O/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9668 kcal/mol

Physical Properties
Molecular Weight: 248.37 g/mol	logS: -2.7837	SlogP: 3.8325	Reactive groups: 0

Topological Properties
Globularity: 0.132802	Sterimol/B1: 2.16114	Sterimol/B2: 2.85727	Sterimol/B3: 4.30503
Sterimol/B4: 8.7907	Sterimol/L: 13.8583

Surface and Volume Properties
Accessible surface: 504.957	Positive charged surface: 342.637	Negative charged surface: 162.32	Volume: 272.625
Hydrophobic surface: 422.046	Hydrophilic surface: 82.911

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.