MMsINC Database Search


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MMsINC code: MMs01608507

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O=C1N(CCCC(=O)Nc2ccc(cc2)C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C23H20N2O3/c1-15-10-12-17(13-11-15)24-20(26)9-4-14-25-22(27)18-7-2-5-16-6-3-8-19(21(16)18)23(25)28/h2-3,5-8,10-13H,4,9,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3775 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -6.36665	SlogP: 4.16312	Reactive groups: 0

Topological Properties
Globularity: 0.0711145	Sterimol/B1: 3.24524	Sterimol/B2: 3.36324	Sterimol/B3: 5.48158
Sterimol/B4: 5.80001	Sterimol/L: 19.3098

Surface and Volume Properties
Accessible surface: 643.505	Positive charged surface: 377.769	Negative charged surface: 256.408	Volume: 357.375
Hydrophobic surface: 541.832	Hydrophilic surface: 101.673

Pharmacophoric Properties
Hydrogen bond donors: 1	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.