MMsINC Database Search


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MMsINC code: MMs00134658

Type: Neutral
Formula: C₂₁H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C21H20N2O3/c1-25-18-12-11-17(14-19(18)26-2)21(24)23(20-10-6-7-13-22-20)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.543 kcal/mol

Physical Properties
Molecular Weight: 348.402 g/mol	logS: -4.17066	SlogP: 4.2122	Reactive groups: 0

Topological Properties
Globularity: 0.0547055	Sterimol/B1: 2.2376	Sterimol/B2: 3.13583	Sterimol/B3: 3.88914
Sterimol/B4: 8.62386	Sterimol/L: 14.6331

Surface and Volume Properties
Accessible surface: 591.437	Positive charged surface: 411.78	Negative charged surface: 179.657	Volume: 338
Hydrophobic surface: 541.751	Hydrophilic surface: 49.686

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.