MMsINC Database Search


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MMsINC code: MMs02687653

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1cc(ccc1)C(=O)Nc1cccnc1

InChI:

InChI=1/C19H16N2O2/c1-23-18-9-7-14(8-10-18)15-4-2-5-16(12-15)19(22)21-17-6-3-11-20-13-17/h2-13H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.171 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.57349	SlogP: 4.0095	Reactive groups: 0

Topological Properties
Globularity: 0.00847865	Sterimol/B1: 2.38646	Sterimol/B2: 2.61563	Sterimol/B3: 2.77952
Sterimol/B4: 8.09557	Sterimol/L: 18.3354

Surface and Volume Properties
Accessible surface: 566.869	Positive charged surface: 352.703	Negative charged surface: 202.211	Volume: 297.375
Hydrophobic surface: 502.75	Hydrophilic surface: 64.119

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.