MMsINC Database Search


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MMsINC code: MMs00481278

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(NC(C(C)C)C(=O)NCC)c1ccccc1

InChI:

InChI=1/C14H20N2O2/c1-4-15-14(18)12(10(2)3)16-13(17)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,15,18)(H,16,17)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0301 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -2.76154	SlogP: 1.5771	Reactive groups: 0

Topological Properties
Globularity: 0.0897611	Sterimol/B1: 2.76112	Sterimol/B2: 3.13695	Sterimol/B3: 4.52046
Sterimol/B4: 5.90459	Sterimol/L: 15.7127

Surface and Volume Properties
Accessible surface: 501.709	Positive charged surface: 315.03	Negative charged surface: 186.678	Volume: 256
Hydrophobic surface: 380.136	Hydrophilic surface: 121.573

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.