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MMsINC code: MMs00829819

Type: Neutral
Formula: C₁₈H₁₉NO₃

SMILES:

O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CCN(C)C

InChI:

InChI=1/C18H19NO3/c1-19(2)12-13-22-18(21)16-10-8-15(9-11-16)17(20)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.499 kcal/mol

Physical Properties
Molecular Weight: 297.354 g/mol	logS: -3.73731	SlogP: 2.636	Reactive groups: 0

Topological Properties
Globularity: 0.0362619	Sterimol/B1: 2.0768	Sterimol/B2: 3.7932	Sterimol/B3: 4.59456
Sterimol/B4: 6.39101	Sterimol/L: 16.7348

Surface and Volume Properties
Accessible surface: 572.555	Positive charged surface: 384.595	Negative charged surface: 187.96	Volume: 298.125
Hydrophobic surface: 500.922	Hydrophilic surface: 71.633

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00829820
CHEMDIV-ZINC00044449