MMsINC Database Search


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MMsINC code: MMs02011309

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C(C(=O)Nc1ccc(cc1)C)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C19H18N2O2/c1-12-8-10-14(11-9-12)20-19(23)18(22)17-13(2)21(3)16-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4222 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.65744	SlogP: 3.97574	Reactive groups: 0

Topological Properties
Globularity: 0.0824936	Sterimol/B1: 2.26421	Sterimol/B2: 4.80155	Sterimol/B3: 5.76411
Sterimol/B4: 5.82218	Sterimol/L: 16.231

Surface and Volume Properties
Accessible surface: 571.464	Positive charged surface: 328.284	Negative charged surface: 238.131	Volume: 305.25
Hydrophobic surface: 500.794	Hydrophilic surface: 70.67

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.