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MMsINC code: MMs00865626

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

OC(=O)c1ccc(NCc2c3c(n(c2)Cc2ccccc2)cccc3)cc1

InChI:

InChI=1/C23H20N2O2/c26-23(27)18-10-12-20(13-11-18)24-14-19-16-25(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-13,16,24H,14-15H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0556 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -4.87045	SlogP: 5.5327	Reactive groups: 0

Topological Properties
Globularity: 0.0574363	Sterimol/B1: 2.18056	Sterimol/B2: 3.32782	Sterimol/B3: 4.95464
Sterimol/B4: 8.03765	Sterimol/L: 18.8387

Surface and Volume Properties
Accessible surface: 639.992	Positive charged surface: 359.849	Negative charged surface: 275.952	Volume: 358
Hydrophobic surface: 506	Hydrophilic surface: 133.992

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00865627
CHEMDIV-ZINC01414791