MMsINC Database Search


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MMsINC code: MMs02764719

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O(Cc1ccccc1)c1ccc(OCCN2C(=O)c3c(cccc3)C2=O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0314 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -5.59773	SlogP: 4.207	Reactive groups: 0

Topological Properties
Globularity: 0.0548338	Sterimol/B1: 3.64856	Sterimol/B2: 3.98289	Sterimol/B3: 4.22993
Sterimol/B4: 5.91264	Sterimol/L: 19.9282

Surface and Volume Properties
Accessible surface: 667.243	Positive charged surface: 380.867	Negative charged surface: 286.376	Volume: 358.375
Hydrophobic surface: 587.397	Hydrophilic surface: 79.846

Pharmacophoric Properties
Hydrogen bond donors: 0	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.