MMsINC Database Search


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MMsINC code: MMs00092710

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC

InChI:

InChI=1/C15H20N2O3/c1-16-14(18)11-7-9-17(10-8-11)15(19)12-3-5-13(20-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.163 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -1.95683	SlogP: 1.2934	Reactive groups: 0

Topological Properties
Globularity: 0.0757365	Sterimol/B1: 2.53914	Sterimol/B2: 3.21277	Sterimol/B3: 4.09308
Sterimol/B4: 7.13691	Sterimol/L: 16.096

Surface and Volume Properties
Accessible surface: 525.546	Positive charged surface: 399.661	Negative charged surface: 125.885	Volume: 273
Hydrophobic surface: 436.306	Hydrophilic surface: 89.24

Pharmacophoric Properties
Hydrogen bond donors: 1	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.