MMsINC Database Search


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MMsINC code: MMs02826760

Type: Neutral
Formula: C₁₅H₁₄N₂O

SMILES:

O(C)c1cc2c([nH]cc2Cc2ncccc2)cc1

InChI:

InChI=1/C15H14N2O/c1-18-13-5-6-15-14(9-13)11(10-17-15)8-12-4-2-3-7-16-12/h2-7,9-10,17H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2891 kcal/mol

Physical Properties
Molecular Weight: 238.29 g/mol	logS: -2.42287	SlogP: 3.16227	Reactive groups: 0

Topological Properties
Globularity: 0.0909385	Sterimol/B1: 2.44519	Sterimol/B2: 3.3958	Sterimol/B3: 3.40163
Sterimol/B4: 6.75953	Sterimol/L: 13.8637

Surface and Volume Properties
Accessible surface: 472.86	Positive charged surface: 328.459	Negative charged surface: 140.325	Volume: 240.75
Hydrophobic surface: 413.903	Hydrophilic surface: 58.957

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.