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MMsINC code: MMs00845436

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)c1ccccc1NC(=O)Cc1ccccc1

InChI:

InChI=1/C15H13NO3/c17-14(10-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3134 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.38574	SlogP: 2.56597	Reactive groups: 0

Topological Properties
Globularity: 0.0655496	Sterimol/B1: 3.30058	Sterimol/B2: 4.07068	Sterimol/B3: 4.45873
Sterimol/B4: 5.00795	Sterimol/L: 14.3987

Surface and Volume Properties
Accessible surface: 482.205	Positive charged surface: 278.767	Negative charged surface: 203.438	Volume: 241.875
Hydrophobic surface: 369.005	Hydrophilic surface: 113.2

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00845437
CHEMDIV-ZINC00242497