MMsINC Database Search


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MMsINC code: MMs00186677

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O(C(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1)CC

InChI:

InChI=1/C23H19NO4/c1-2-28-23(27)17-12-14-18(15-13-17)24-22(26)20-11-7-6-10-19(20)21(25)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.519 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -6.13662	SlogP: 4.3466	Reactive groups: 0

Topological Properties
Globularity: 0.0777633	Sterimol/B1: 3.19832	Sterimol/B2: 5.44927	Sterimol/B3: 5.58953
Sterimol/B4: 6.44736	Sterimol/L: 18.1589

Surface and Volume Properties
Accessible surface: 666.669	Positive charged surface: 380.727	Negative charged surface: 285.942	Volume: 362.125
Hydrophobic surface: 559.802	Hydrophilic surface: 106.867

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.