MMsINC Database Search


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MMsINC code: MMs01444063

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1)CN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H20N2O3/c1-28-20-14-8-9-17(15-20)16-25-21(26)23(24-22(25)27,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6325 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -5.38857	SlogP: 4.2687	Reactive groups: 0

Topological Properties
Globularity: 0.181031	Sterimol/B1: 3.24273	Sterimol/B2: 5.20163	Sterimol/B3: 5.9048
Sterimol/B4: 6.2495	Sterimol/L: 16.201

Surface and Volume Properties
Accessible surface: 618.675	Positive charged surface: 367.148	Negative charged surface: 251.527	Volume: 358.75
Hydrophobic surface: 542.379	Hydrophilic surface: 76.296

Pharmacophoric Properties
Hydrogen bond donors: 1	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.