MMsINC Database Search


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MMsINC code: MMs01524194

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O=C(C)c1cc(NC(=O)Cc2c3c([nH]c2)cccc3)ccc1

InChI:

InChI=1/C18H16N2O2/c1-12(21)13-5-4-6-15(9-13)20-18(22)10-14-11-19-17-8-3-2-7-16(14)17/h2-9,11,19H,10H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3827 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.01851	SlogP: 3.55167	Reactive groups: 0

Topological Properties
Globularity: 0.121266	Sterimol/B1: 2.56106	Sterimol/B2: 4.02012	Sterimol/B3: 5.00174
Sterimol/B4: 7.09367	Sterimol/L: 15.1095

Surface and Volume Properties
Accessible surface: 553.876	Positive charged surface: 320.58	Negative charged surface: 229.568	Volume: 287.625
Hydrophobic surface: 431.893	Hydrophilic surface: 121.983

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.