MMsINC Database Search


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MMsINC code: MMs02711972

Type: Neutral
Formula: C₂₁H₂₀N₂O₃

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1

InChI:

InChI=1/C21H20N2O3/c1-25-19-11-7-17(8-12-19)22-21(24)23-18-9-13-20(14-10-18)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0865 kcal/mol

Physical Properties
Molecular Weight: 348.402 g/mol	logS: -5.12071	SlogP: 5.1846	Reactive groups: 0

Topological Properties
Globularity: 0.0251823	Sterimol/B1: 2.32209	Sterimol/B2: 3.1393	Sterimol/B3: 3.79306
Sterimol/B4: 6.96833	Sterimol/L: 22.0404

Surface and Volume Properties
Accessible surface: 653.647	Positive charged surface: 410.994	Negative charged surface: 242.652	Volume: 339.875
Hydrophobic surface: 574.525	Hydrophilic surface: 79.122

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.