MMsINC Database Search


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MMsINC code: MMs02697267

Type: Neutral
Formula: C₂₁H₁₈N₂O₃

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N)c1ccccc1

InChI:

InChI=1/C21H18N2O3/c22-20(24)18-8-4-5-9-19(18)23-21(25)16-12-10-15(11-13-16)14-26-17-6-2-1-3-7-17/h1-13H,14H2,(H2,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.847 kcal/mol

Physical Properties
Molecular Weight: 346.386 g/mol	logS: -5.42527	SlogP: 3.8832	Reactive groups: 0

Topological Properties
Globularity: 0.0280379	Sterimol/B1: 3.35712	Sterimol/B2: 3.37272	Sterimol/B3: 4.66188
Sterimol/B4: 5.07419	Sterimol/L: 20.3247

Surface and Volume Properties
Accessible surface: 622.407	Positive charged surface: 346.448	Negative charged surface: 275.959	Volume: 332.5
Hydrophobic surface: 489.639	Hydrophilic surface: 132.768

Pharmacophoric Properties
Hydrogen bond donors: 2	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.