MMsINC Database Search


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MMsINC code: MMs00145090

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

o1c2c(nc1-c1cc(C)c(NC(=O)c3ccc(OC)cc3)cc1)cc(cc2)C

InChI:

InChI=1/C23H20N2O3/c1-14-4-11-21-20(12-14)25-23(28-21)17-7-10-19(15(2)13-17)24-22(26)16-5-8-18(27-3)9-6-16/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.707 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -7.35531	SlogP: 5.37254	Reactive groups: 0

Topological Properties
Globularity: 0.00723296	Sterimol/B1: 2.6269	Sterimol/B2: 2.83487	Sterimol/B3: 3.12016
Sterimol/B4: 5.99364	Sterimol/L: 23.1123

Surface and Volume Properties
Accessible surface: 675.158	Positive charged surface: 412.77	Negative charged surface: 262.389	Volume: 362.25
Hydrophobic surface: 593.273	Hydrophilic surface: 81.885

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.