MMsINC Database Search


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MMsINC code: MMs03153119

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)Cn2c3c(cccc3)cc2)cc1

InChI:

InChI=1/C23H20N2O2/c26-23(16-25-15-14-19-8-4-5-9-22(19)25)24-20-10-12-21(13-11-20)27-17-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0222 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.3835	SlogP: 5.3918	Reactive groups: 0

Topological Properties
Globularity: 0.0548055	Sterimol/B1: 3.55757	Sterimol/B2: 3.81841	Sterimol/B3: 4.86752
Sterimol/B4: 5.45622	Sterimol/L: 20.0164

Surface and Volume Properties
Accessible surface: 669.487	Positive charged surface: 381.079	Negative charged surface: 283.123	Volume: 355.75
Hydrophobic surface: 608.655	Hydrophilic surface: 60.832

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.