MMsINC Database Search


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MMsINC code: MMs00283220

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(CC=C)c1ccc(cc1)C(=O)Nc1cccnc1

InChI:

InChI=1/C15H14N2O2/c1-2-10-19-14-7-5-12(6-8-14)15(18)17-13-4-3-9-16-11-13/h2-9,11H,1,10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3734 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -2.64334	SlogP: 2.8987	Reactive groups: 0

Topological Properties
Globularity: 0.0111956	Sterimol/B1: 2.12401	Sterimol/B2: 3.06052	Sterimol/B3: 3.10717
Sterimol/B4: 5.3544	Sterimol/L: 18.4045

Surface and Volume Properties
Accessible surface: 509.126	Positive charged surface: 316.28	Negative charged surface: 192.845	Volume: 249.875
Hydrophobic surface: 386.985	Hydrophilic surface: 122.141

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.