MMsINC Database Search


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MMsINC code: MMs02733721

Type: Neutral
Formula: C₂₅H₂₃NO₄

SMILES:

O(C)c1cc2c(cc(nc2-c2ccc(OC)cc2)-c2ccc(OC)cc2)cc1OC

InChI:

InChI=1/C25H23NO4/c1-27-19-9-5-16(6-10-19)22-13-18-14-23(29-3)24(30-4)15-21(18)25(26-22)17-7-11-20(28-2)12-8-17/h5-15H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.845 kcal/mol

Physical Properties
Molecular Weight: 401.462 g/mol	logS: -6.9965	SlogP: 5.6032	Reactive groups: 0

Topological Properties
Globularity: 0.0227576	Sterimol/B1: 3.00644	Sterimol/B2: 3.20236	Sterimol/B3: 5.53755
Sterimol/B4: 10.0312	Sterimol/L: 17.6735

Surface and Volume Properties
Accessible surface: 695.559	Positive charged surface: 491.557	Negative charged surface: 183.357	Volume: 391
Hydrophobic surface: 642.55	Hydrophilic surface: 53.009

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.