MMsINC Database Search


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MMsINC code: MMs00925359

Type: Neutral
Formula: C₁₆H₂₂N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)NC(C1)CCCCC

InChI:

InChI=1/C16H22N2O2/c1-2-3-5-10-14-11-15(19)18(16(20)17-14)12-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3,(H,17,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.69213 kcal/mol

Physical Properties
Molecular Weight: 274.364 g/mol	logS: -3.75895	SlogP: 3.3438	Reactive groups: 0

Topological Properties
Globularity: 0.0712802	Sterimol/B1: 2.76343	Sterimol/B2: 2.92135	Sterimol/B3: 4.45417
Sterimol/B4: 5.46278	Sterimol/L: 17.3997

Surface and Volume Properties
Accessible surface: 536.039	Positive charged surface: 360.608	Negative charged surface: 175.432	Volume: 281.25
Hydrophobic surface: 429.303	Hydrophilic surface: 106.736

Pharmacophoric Properties
Hydrogen bond donors: 1	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.