MMsINC Database Search


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MMsINC code: MMs02913557

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)N(CCCC)CCCC

InChI:

InChI=1/C16H25NO2/c1-4-6-11-17(12-7-5-2)16(18)14-9-8-10-15(13-14)19-3/h8-10,13H,4-7,11-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2554 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -3.5638	SlogP: 3.7376	Reactive groups: 0

Topological Properties
Globularity: 0.0574153	Sterimol/B1: 2.4447	Sterimol/B2: 4.05143	Sterimol/B3: 4.95827
Sterimol/B4: 6.80571	Sterimol/L: 15.9528

Surface and Volume Properties
Accessible surface: 540.721	Positive charged surface: 396.608	Negative charged surface: 144.113	Volume: 288.625
Hydrophobic surface: 463.462	Hydrophilic surface: 77.259

Pharmacophoric Properties
Hydrogen bond donors: 0	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.