MMsINC Database Search


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MMsINC code: MMs02197992

Type: Neutral
Formula: C₂₀H₁₅NO₃

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H15NO3/c22-19(15-9-3-1-4-10-15)21-18-14-8-7-13-17(18)20(23)24-16-11-5-2-6-12-16/h1-14H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.819 kcal/mol

Physical Properties
Molecular Weight: 317.344 g/mol	logS: -5.46893	SlogP: 4.1581	Reactive groups: 0

Topological Properties
Globularity: 0.0648991	Sterimol/B1: 2.42565	Sterimol/B2: 3.43123	Sterimol/B3: 3.8942
Sterimol/B4: 9.97735	Sterimol/L: 14.7543

Surface and Volume Properties
Accessible surface: 569.023	Positive charged surface: 304.772	Negative charged surface: 264.252	Volume: 305.25
Hydrophobic surface: 522.934	Hydrophilic surface: 46.089

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.