MMsINC Database Search


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MMsINC code: MMs00563148

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(cc1C(=O)CCNc1ccc(cc1)Cc1ccncc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.88 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.619	SlogP: 5.10347	Reactive groups: 0

Topological Properties
Globularity: 0.0326268	Sterimol/B1: 3.72045	Sterimol/B2: 3.95775	Sterimol/B3: 4.00647
Sterimol/B4: 4.70907	Sterimol/L: 21.1747

Surface and Volume Properties
Accessible surface: 665.031	Positive charged surface: 421.827	Negative charged surface: 237.64	Volume: 355.625
Hydrophobic surface: 590.731	Hydrophilic surface: 74.3

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.