MMsINC Database Search


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MMsINC code: MMs03541220

Type: Neutral
Formula: C₁₉H₂₇NO₂

SMILES:

Oc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C19H27NO2/c21-18-14-8-7-13-17(18)19(22)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16,21H,1-6,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=327.545 kcal/mol

Physical Properties
Molecular Weight: 301.43 g/mol	logS: -4.00535	SlogP: 4.4998	Reactive groups: 0

Topological Properties
Globularity: 0.163107	Sterimol/B1: 3.46587	Sterimol/B2: 4.11075	Sterimol/B3: 4.70407
Sterimol/B4: 6.15322	Sterimol/L: 12.982

Surface and Volume Properties
Accessible surface: 516.869	Positive charged surface: 366.818	Negative charged surface: 150.051	Volume: 306.5
Hydrophobic surface: 463.819	Hydrophilic surface: 53.05

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.