MMsINC Database Search


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MMsINC code: MMs00962830

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C1N(c2ccc(cc2)C)C(=O)N(c2c1cccc2)Cc1ccccc1C

InChI:

InChI=1/C23H20N2O2/c1-16-11-13-19(14-12-16)25-22(26)20-9-5-6-10-21(20)24(23(25)27)15-18-8-4-3-7-17(18)2/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.995 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -6.26552	SlogP: 5.35684	Reactive groups: 0

Topological Properties
Globularity: 0.141033	Sterimol/B1: 3.18836	Sterimol/B2: 3.89512	Sterimol/B3: 4.72046
Sterimol/B4: 8.36279	Sterimol/L: 15.3276

Surface and Volume Properties
Accessible surface: 606.267	Positive charged surface: 338.367	Negative charged surface: 267.9	Volume: 349.625
Hydrophobic surface: 551.35	Hydrophilic surface: 54.917

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.