MMsINC Database Search


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MMsINC code: MMs00968971

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1NC(C(=O)Nc2cccc(C)c2C)C(C1)c1ccccc1

InChI:

InChI=1/C19H20N2O2/c1-12-7-6-10-16(13(12)2)20-19(23)18-15(11-17(22)21-18)14-8-4-3-5-9-14/h3-10,15,18H,11H2,1-2H3,(H,20,23)(H,21,22)/t15-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.982 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.12862	SlogP: 2.91424	Reactive groups: 0

Topological Properties
Globularity: 0.221251	Sterimol/B1: 3.56856	Sterimol/B2: 4.39486	Sterimol/B3: 5.14176
Sterimol/B4: 5.98252	Sterimol/L: 13.8846

Surface and Volume Properties
Accessible surface: 520.749	Positive charged surface: 321.383	Negative charged surface: 199.367	Volume: 303.375
Hydrophobic surface: 421.077	Hydrophilic surface: 99.672

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.