MMsINC Database Search


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MMsINC code: MMs00585523

Type: Neutral
Formula: C₁₉H₁₅NO

SMILES:

O=C(Nc1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H15NO/c21-19(20-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0076 kcal/mol

Physical Properties
Molecular Weight: 273.335 g/mol	logS: -5.78125	SlogP: 4.6059	Reactive groups: 0

Topological Properties
Globularity: 0.0070758	Sterimol/B1: 2.60514	Sterimol/B2: 2.63343	Sterimol/B3: 3.55978
Sterimol/B4: 4.36595	Sterimol/L: 18.4954

Surface and Volume Properties
Accessible surface: 532.063	Positive charged surface: 259.652	Negative charged surface: 261.34	Volume: 278.75
Hydrophobic surface: 496.587	Hydrophilic surface: 35.476

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.