MMsINC Database Search


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MMsINC code: MMs02631174

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O1CCN(CC1)C(=O)c1ccccc1NC(=O)c1ccc(cc1)C

InChI:

InChI=1/C19H20N2O3/c1-14-6-8-15(9-7-14)18(22)20-17-5-3-2-4-16(17)19(23)21-10-12-24-13-11-21/h2-9H,10-13H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.317 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.16041	SlogP: 2.71972	Reactive groups: 0

Topological Properties
Globularity: 0.0568417	Sterimol/B1: 3.68186	Sterimol/B2: 3.96623	Sterimol/B3: 4.27848
Sterimol/B4: 7.92191	Sterimol/L: 14.9491

Surface and Volume Properties
Accessible surface: 578.674	Positive charged surface: 373.351	Negative charged surface: 205.324	Volume: 313.375
Hydrophobic surface: 513.223	Hydrophilic surface: 65.451

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.