MMsINC Database Search


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MMsINC code: MMs00095235

Type: Neutral
Formula: C₂₀H₁₅NO₃

SMILES:

Oc1ccccc1NC(=O)c1ccc(cc1)C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.933 kcal/mol

Physical Properties
Molecular Weight: 317.344 g/mol	logS: -5.06573	SlogP: 3.8755	Reactive groups: 0

Topological Properties
Globularity: 0.0124262	Sterimol/B1: 2.53486	Sterimol/B2: 2.66316	Sterimol/B3: 2.69131
Sterimol/B4: 6.81265	Sterimol/L: 18.401

Surface and Volume Properties
Accessible surface: 561.592	Positive charged surface: 297.704	Negative charged surface: 263.887	Volume: 301.625
Hydrophobic surface: 447.379	Hydrophilic surface: 114.213

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.