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MMsINC code: MMs00727626

Type: Neutral
Formula: C₂₅H₂₀N₂O₂

SMILES:

O=C(C(=O)N1CCCc2c1cccc2)c1n2c(cc1-c1ccccc1)C=CC=C2

InChI:

InChI=1/C25H20N2O2/c28-24(25(29)27-16-8-12-19-11-4-5-14-22(19)27)23-21(18-9-2-1-3-10-18)17-20-13-6-7-15-26(20)23/h1-7,9-11,13-15,17H,8,12,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.386 kcal/mol

Physical Properties
Molecular Weight: 380.447 g/mol	logS: -5.93611	SlogP: 4.81467	Reactive groups: 0

Topological Properties
Globularity: 0.138625	Sterimol/B1: 2.50439	Sterimol/B2: 3.69173	Sterimol/B3: 3.95553
Sterimol/B4: 10.8885	Sterimol/L: 13.642

Surface and Volume Properties
Accessible surface: 622.299	Positive charged surface: 338.619	Negative charged surface: 283.681	Volume: 370.5
Hydrophobic surface: 580.767	Hydrophilic surface: 41.532

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: 0

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Ions/Tautomers related molecules: no related molecules available.