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MMsINC code: MMs02207779

Type: Neutral
Formula: C₁₇H₁₃NO₂

SMILES:

OC(=O)c1ccccc1Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C17H13NO2/c19-17(20)15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5948 kcal/mol

Physical Properties
Molecular Weight: 263.296 g/mol	logS: -4.85248	SlogP: 4.2816	Reactive groups: 0

Topological Properties
Globularity: 0.130983	Sterimol/B1: 2.83577	Sterimol/B2: 4.10849	Sterimol/B3: 4.50585
Sterimol/B4: 4.67016	Sterimol/L: 14.5077

Surface and Volume Properties
Accessible surface: 483.172	Positive charged surface: 267.57	Negative charged surface: 204.531	Volume: 256.25
Hydrophobic surface: 390.33	Hydrophilic surface: 92.842

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02207780
NANOSIN-ZINC04522371