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MMsINC code: MMs02689481

Type: Neutral
Formula: C₁₇H₁₆N₂O₂

SMILES:

O=C1N(c2c(cccc2)C1C(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C17H16N2O2/c1-11-7-9-12(10-8-11)18-16(20)15-13-5-3-4-6-14(13)19(2)17(15)21/h3-10,15H,1-2H3,(H,18,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0815 kcal/mol

Physical Properties
Molecular Weight: 280.327 g/mol	logS: -4.00976	SlogP: 2.69372	Reactive groups: 0

Topological Properties
Globularity: 0.0948698	Sterimol/B1: 2.65716	Sterimol/B2: 4.55956	Sterimol/B3: 4.72321
Sterimol/B4: 5.23148	Sterimol/L: 15.1766

Surface and Volume Properties
Accessible surface: 526.835	Positive charged surface: 328.896	Negative charged surface: 197.938	Volume: 272.625
Hydrophobic surface: 464.735	Hydrophilic surface: 62.1

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02689483
PUBCHEM-ZINC00480264