MMsINC Database Search


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MMsINC code: MMs01123521

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

o1cc(cc1)C(=O)N(C(C)C)CCC(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C19H24N2O3/c1-13(2)21(19(23)16-8-10-24-12-16)9-7-18(22)20-17-6-5-14(3)15(4)11-17/h5-6,8,10-13H,7,9H2,1-4H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.25 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -4.50428	SlogP: 3.77584	Reactive groups: 0

Topological Properties
Globularity: 0.0693804	Sterimol/B1: 2.56102	Sterimol/B2: 3.78947	Sterimol/B3: 4.77281
Sterimol/B4: 7.3745	Sterimol/L: 16.2398

Surface and Volume Properties
Accessible surface: 602.948	Positive charged surface: 352.072	Negative charged surface: 250.877	Volume: 330.375
Hydrophobic surface: 492.714	Hydrophilic surface: 110.234

Pharmacophoric Properties
Hydrogen bond donors: 1	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.