MMsINC Database Search


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MMsINC code: MMs00478342

Type: Neutral
Formula: C₂₂H₁₇NO₂

SMILES:

O(C)C=1c2c(N(C(=O)C=1c1ccccc1)c1ccccc1)cccc2

InChI:

InChI=1/C22H17NO2/c1-25-21-18-14-8-9-15-19(18)23(17-12-6-3-7-13-17)22(24)20(21)16-10-4-2-5-11-16/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.936 kcal/mol

Physical Properties
Molecular Weight: 327.383 g/mol	logS: -5.79696	SlogP: 4.8796	Reactive groups: 0

Topological Properties
Globularity: 0.111247	Sterimol/B1: 2.77705	Sterimol/B2: 3.69354	Sterimol/B3: 4.40957
Sterimol/B4: 7.42816	Sterimol/L: 14.4274

Surface and Volume Properties
Accessible surface: 568.697	Positive charged surface: 344.626	Negative charged surface: 224.071	Volume: 323.625
Hydrophobic surface: 541.68	Hydrophilic surface: 27.017

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.