MMsINC Database Search


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MMsINC code: MMs00602256

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

O(C(=O)NC(=O)c1ccccc1)c1cc(ccc1)C

InChI:

InChI=1/C15H13NO3/c1-11-6-5-9-13(10-11)19-15(18)16-14(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4771 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -4.20139	SlogP: 2.92382	Reactive groups: 0

Topological Properties
Globularity: 0.0475624	Sterimol/B1: 2.11925	Sterimol/B2: 2.40098	Sterimol/B3: 4.03171
Sterimol/B4: 5.41727	Sterimol/L: 16.5658

Surface and Volume Properties
Accessible surface: 498.309	Positive charged surface: 270.303	Negative charged surface: 228.006	Volume: 244
Hydrophobic surface: 413.499	Hydrophilic surface: 84.81

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.