MMsINC Database Search


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MMsINC code: MMs03508586

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

Oc1cc(ccc1)/C(=N\NC(=O)CCCCC)/C

InChI:

InChI=1/C14H20N2O2/c1-3-4-5-9-14(18)16-15-11(2)12-7-6-8-13(17)10-12/h6-8,10,17H,3-5,9H2,1-2H3,(H,16,18)/b15-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6673 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.46925	SlogP: 2.8127	Reactive groups: 0

Topological Properties
Globularity: 0.0295803	Sterimol/B1: 2.82172	Sterimol/B2: 3.16658	Sterimol/B3: 4.10534
Sterimol/B4: 5.94699	Sterimol/L: 17.1083

Surface and Volume Properties
Accessible surface: 528.552	Positive charged surface: 355.131	Negative charged surface: 173.421	Volume: 260.25
Hydrophobic surface: 393.832	Hydrophilic surface: 134.72

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.