MMsINC Database Search


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MMsINC code: MMs01968011

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C)c1cc2c(cc1OC)CCN(C(=O)N(C)C)C2c1ccccc1

InChI:

InChI=1/C20H24N2O3/c1-21(2)20(23)22-11-10-15-12-17(24-3)18(25-4)13-16(15)19(22)14-8-6-5-7-9-14/h5-9,12-13,19H,10-11H2,1-4H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.282 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.21278	SlogP: 3.42837	Reactive groups: 0

Topological Properties
Globularity: 0.128286	Sterimol/B1: 3.34238	Sterimol/B2: 4.02149	Sterimol/B3: 4.44618
Sterimol/B4: 7.35191	Sterimol/L: 14.4888

Surface and Volume Properties
Accessible surface: 583.046	Positive charged surface: 481.422	Negative charged surface: 101.624	Volume: 335.625
Hydrophobic surface: 557.012	Hydrophilic surface: 26.034

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.