MMsINC Database Search


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MMsINC code: MMs02107219

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(C)c1ccc(NC(=O)c2c3c(n(c2)Cc2ccccc2)cccc3)cc1

InChI:

InChI=1/C23H20N2O2/c1-27-19-13-11-18(12-14-19)24-23(26)21-16-25(15-17-7-3-2-4-8-17)22-10-6-5-9-20(21)22/h2-14,16H,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8846 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.35706	SlogP: 5.2169	Reactive groups: 0

Topological Properties
Globularity: 0.0388194	Sterimol/B1: 3.34657	Sterimol/B2: 4.12637	Sterimol/B3: 5.73864
Sterimol/B4: 6.27428	Sterimol/L: 18.8972

Surface and Volume Properties
Accessible surface: 633.753	Positive charged surface: 373.449	Negative charged surface: 254.359	Volume: 357.125
Hydrophobic surface: 568.506	Hydrophilic surface: 65.247

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.