MMsINC Database Search


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MMsINC code: MMs00619440

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

O=C(Nc1c2c(cccc2)c(N(C)C)cc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H20N2O/c1-25(2)22-15-14-21(18-11-5-6-12-19(18)22)24-23(26)20-13-7-9-16-8-3-4-10-17(16)20/h3-15H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.536 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -7.03804	SlogP: 5.3113	Reactive groups: 0

Topological Properties
Globularity: 0.0329148	Sterimol/B1: 2.26477	Sterimol/B2: 3.52118	Sterimol/B3: 4.78039
Sterimol/B4: 7.57185	Sterimol/L: 16.7034

Surface and Volume Properties
Accessible surface: 604.622	Positive charged surface: 367.316	Negative charged surface: 216.71	Volume: 342.25
Hydrophobic surface: 579.886	Hydrophilic surface: 24.736

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.