MMsINC Database Search


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MMsINC code: MMs00559963

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(CCNC(=O)c1ccc(cc1)C(=O)c1ccccc1)c1ccccc1OC

InChI:

InChI=1/C23H21NO4/c1-27-20-9-5-6-10-21(20)28-16-15-24-23(26)19-13-11-18(12-14-19)22(25)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.99 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -5.49892	SlogP: 3.735	Reactive groups: 0

Topological Properties
Globularity: 0.0402925	Sterimol/B1: 2.16708	Sterimol/B2: 2.28315	Sterimol/B3: 5.69452
Sterimol/B4: 7.99534	Sterimol/L: 20.4897

Surface and Volume Properties
Accessible surface: 683.246	Positive charged surface: 419.898	Negative charged surface: 263.348	Volume: 366.875
Hydrophobic surface: 595.929	Hydrophilic surface: 87.317

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.