MMsINC Database Search


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MMsINC code: MMs00446551

Type: Neutral
Formula: C₁₅H₁₈N₂O₃

SMILES:

O(C(=O)N(CC)CC)C1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C15H18N2O3/c1-4-17(5-2)15(19)20-13-10-14(18)16(3)12-9-7-6-8-11(12)13/h6-10H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1679 kcal/mol

Physical Properties
Molecular Weight: 274.32 g/mol	logS: -2.88104	SlogP: 2.4823	Reactive groups: 0

Topological Properties
Globularity: 0.132115	Sterimol/B1: 2.48459	Sterimol/B2: 3.95292	Sterimol/B3: 6.00162
Sterimol/B4: 6.08265	Sterimol/L: 13.1806

Surface and Volume Properties
Accessible surface: 502.696	Positive charged surface: 338.55	Negative charged surface: 164.146	Volume: 269.5
Hydrophobic surface: 396.729	Hydrophilic surface: 105.967

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.