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MMsINC code: MMs02212645

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)Cc1cccc(C(=O)c2ccccc2)c1N

InChI:

InChI=1/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9396 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.20944	SlogP: 2.12687	Reactive groups: 0

Topological Properties
Globularity: 0.15066	Sterimol/B1: 2.8415	Sterimol/B2: 3.58877	Sterimol/B3: 4.31178
Sterimol/B4: 6.045	Sterimol/L: 12.7108

Surface and Volume Properties
Accessible surface: 465.459	Positive charged surface: 263.091	Negative charged surface: 202.368	Volume: 242.125
Hydrophobic surface: 312.773	Hydrophilic surface: 152.686

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

MMs02212646
NCID-ZINC00000909