MMsINC Database Search


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MMsINC code: MMs02213159

Type: Neutral
Formula: C₁₄H₁₁NO₂

SMILES:

O=C(c1ccccc1C(=O)N)c1ccccc1

InChI:

InChI=1/C14H11NO2/c15-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-9H,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7871 kcal/mol

Physical Properties
Molecular Weight: 225.247 g/mol	logS: -3.70981	SlogP: 2.0165	Reactive groups: 0

Topological Properties
Globularity: 0.181687	Sterimol/B1: 3.18123	Sterimol/B2: 4.36099	Sterimol/B3: 5.09552
Sterimol/B4: 5.27296	Sterimol/L: 12.3185

Surface and Volume Properties
Accessible surface: 425.296	Positive charged surface: 231.396	Negative charged surface: 193.9	Volume: 217.125
Hydrophobic surface: 310.627	Hydrophilic surface: 114.669

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.