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MMsINC code: MMs02307968

Type: Neutral
Formula: C₁₇H₁₃NO₂

SMILES:

OC(=O)c1cc2c(cc1Nc1ccccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9826 kcal/mol

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

Topological Properties
Globularity: 0.114769	Sterimol/B1: 2.96657	Sterimol/B2: 3.68758	Sterimol/B3: 4.94813
Sterimol/B4: 6.15398	Sterimol/L: 14.3671

Surface and Volume Properties
Accessible surface: 482.394	Positive charged surface: 267.086	Negative charged surface: 205.018	Volume: 254.875
Hydrophobic surface: 387.112	Hydrophilic surface: 95.282

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

MMs02307969
NCID-ZINC01671868