MMsINC Database Search


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MMsINC code: MMs02131884

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C1N(c2c(cccc2C)CC)C(=O)c2ncccc12

InChI:

InChI=1/C16H14N2O2/c1-3-11-7-4-6-10(2)14(11)18-15(19)12-8-5-9-17-13(12)16(18)20/h4-9H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6875 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.48953	SlogP: 2.75299	Reactive groups: 0

Topological Properties
Globularity: 0.132509	Sterimol/B1: 2.43209	Sterimol/B2: 3.26927	Sterimol/B3: 4.60009
Sterimol/B4: 7.96357	Sterimol/L: 13.7793

Surface and Volume Properties
Accessible surface: 470.208	Positive charged surface: 268.082	Negative charged surface: 202.126	Volume: 256.75
Hydrophobic surface: 371.944	Hydrophilic surface: 98.264

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.