MMsINC Database Search


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MMsINC code: MMs01470270

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CC(=O)NCc1ccccc1

InChI:

InChI=1/C23H19NO4/c25-21(24-15-17-7-3-1-4-8-17)16-28-23(27)20-13-11-19(12-14-20)22(26)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.544 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -5.77989	SlogP: 3.6572	Reactive groups: 0

Topological Properties
Globularity: 0.0208034	Sterimol/B1: 3.44598	Sterimol/B2: 3.83958	Sterimol/B3: 4.76145
Sterimol/B4: 5.55432	Sterimol/L: 22.5311

Surface and Volume Properties
Accessible surface: 683.86	Positive charged surface: 378.122	Negative charged surface: 305.738	Volume: 358.25
Hydrophobic surface: 553.835	Hydrophilic surface: 130.025

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.