MMsINC Database Search


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MMsINC code: MMs01440953

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C1CCN(CC1)C(=O)c1nc2c(cc1)cccc2

InChI:

InChI=1/C15H14N2O2/c18-12-7-9-17(10-8-12)15(19)14-6-5-11-3-1-2-4-13(11)16-14/h1-6H,7-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1794 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -2.41051	SlogP: 2.0399	Reactive groups: 0

Topological Properties
Globularity: 0.0566929	Sterimol/B1: 3.20589	Sterimol/B2: 3.32828	Sterimol/B3: 3.46316
Sterimol/B4: 5.51046	Sterimol/L: 14.101

Surface and Volume Properties
Accessible surface: 457.896	Positive charged surface: 271.49	Negative charged surface: 181.445	Volume: 240.875
Hydrophobic surface: 366.995	Hydrophilic surface: 90.901

Pharmacophoric Properties
Hydrogen bond donors: 0	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.