MMsINC Database Search


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MMsINC code: MMs01247137

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccccc1)C(C(=O)Nc1ccccc1)C

InChI:

InChI=1/C23H19NO4/c1-16(22(26)24-18-12-6-3-7-13-18)28-23(27)20-15-9-8-14-19(20)21(25)17-10-4-2-5-11-17/h2-16H,1H3,(H,24,26)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.408 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -6.16306	SlogP: 4.1016	Reactive groups: 0

Topological Properties
Globularity: 0.113814	Sterimol/B1: 1.97622	Sterimol/B2: 5.64182	Sterimol/B3: 6.51205
Sterimol/B4: 7.02198	Sterimol/L: 16.494

Surface and Volume Properties
Accessible surface: 659.881	Positive charged surface: 354.432	Negative charged surface: 305.449	Volume: 359.75
Hydrophobic surface: 564.569	Hydrophilic surface: 95.312

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.