MMsINC Database Search


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MMsINC code: MMs00629951

Type: Neutral
Formula: C₂₁H₁₉NO₃

SMILES:

O(c1ccccc1C)c1ccc(NC(=O)c2cc(OC)ccc2)cc1

InChI:

InChI=1/C21H19NO3/c1-15-6-3-4-9-20(15)25-18-12-10-17(11-13-18)22-21(23)16-7-5-8-19(14-16)24-2/h3-14H,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.794 kcal/mol

Physical Properties
Molecular Weight: 333.387 g/mol	logS: -5.34843	SlogP: 5.04822	Reactive groups: 0

Topological Properties
Globularity: 0.0490351	Sterimol/B1: 2.62138	Sterimol/B2: 2.91276	Sterimol/B3: 4.8705
Sterimol/B4: 5.08106	Sterimol/L: 19.4135

Surface and Volume Properties
Accessible surface: 616.273	Positive charged surface: 378.968	Negative charged surface: 237.305	Volume: 329.375
Hydrophobic surface: 569.608	Hydrophilic surface: 46.665

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.