MMsINC Database Search


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MMsINC code: MMs00173348

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(C(=O)c1c2c(n(c1)CC(=O)Nc1ccccc1C)cccc2)C

InChI:

InChI=1/C19H18N2O3/c1-13-7-3-5-9-16(13)20-18(22)12-21-11-15(19(23)24-2)14-8-4-6-10-17(14)21/h3-11H,12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5128 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.10742	SlogP: 3.64142	Reactive groups: 0

Topological Properties
Globularity: 0.101038	Sterimol/B1: 2.56858	Sterimol/B2: 5.37254	Sterimol/B3: 5.49878
Sterimol/B4: 6.30779	Sterimol/L: 16.1989

Surface and Volume Properties
Accessible surface: 589.3	Positive charged surface: 366.956	Negative charged surface: 216.3	Volume: 314.125
Hydrophobic surface: 516.763	Hydrophilic surface: 72.537

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.