MMsINC Database Search


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MMsINC code: MMs02712956

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)Nc2cc3c(cc2)cccc3)cc1

InChI:

InChI=1/C19H18N2O2/c1-2-23-18-11-9-16(10-12-18)20-19(22)21-17-8-7-14-5-3-4-6-15(14)13-17/h3-13H,2H2,1H3,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5554 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -5.50752	SlogP: 4.8825	Reactive groups: 0

Topological Properties
Globularity: 0.0167742	Sterimol/B1: 2.41058	Sterimol/B2: 3.37922	Sterimol/B3: 3.73407
Sterimol/B4: 5.99213	Sterimol/L: 19.2577

Surface and Volume Properties
Accessible surface: 584.869	Positive charged surface: 351.801	Negative charged surface: 221.874	Volume: 304.625
Hydrophobic surface: 491.916	Hydrophilic surface: 92.953

Pharmacophoric Properties
Hydrogen bond donors: 2	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.