MMsINC Database Search


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MMsINC code: MMs01854497

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O(c1cc(C)c(cc1)C)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.91 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -7.55032	SlogP: 5.42014	Reactive groups: 0

Topological Properties
Globularity: 0.116895	Sterimol/B1: 2.40211	Sterimol/B2: 2.52718	Sterimol/B3: 5.36133
Sterimol/B4: 11.4386	Sterimol/L: 15.331

Surface and Volume Properties
Accessible surface: 653.534	Positive charged surface: 407.795	Negative charged surface: 238.689	Volume: 360.375
Hydrophobic surface: 584.56	Hydrophilic surface: 68.974

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.