MMsINC Database Search


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MMsINC code: MMs01526333

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O(C(=O)c1ccccc1Cc1ccccc1)CC(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C24H21NO4/c1-17(26)19-11-7-12-21(15-19)25-23(27)16-29-24(28)22-13-6-5-10-20(22)14-18-8-3-2-4-9-18/h2-13,15H,14,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.517 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.19169	SlogP: 4.27547	Reactive groups: 0

Topological Properties
Globularity: 0.0309515	Sterimol/B1: 3.365	Sterimol/B2: 3.44663	Sterimol/B3: 4.11712
Sterimol/B4: 6.77709	Sterimol/L: 21.113

Surface and Volume Properties
Accessible surface: 687.992	Positive charged surface: 404.875	Negative charged surface: 283.118	Volume: 376.75
Hydrophobic surface: 575.775	Hydrophilic surface: 112.217

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.