MMsINC Database Search


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MMsINC code: MMs00990445

Type: Neutral
Formula: C₂₅H₂₃NO₃

SMILES:

O(C)c1cc2c(cc(nc2Cc2ccccc2)-c2ccc(OC)cc2)cc1OC

InChI:

InChI=1/C25H23NO3/c1-27-20-11-9-18(10-12-20)22-14-19-15-24(28-2)25(29-3)16-21(19)23(26-22)13-17-7-5-4-6-8-17/h4-12,14-16H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.476 kcal/mol

Physical Properties
Molecular Weight: 385.463 g/mol	logS: -6.50679	SlogP: 5.51837	Reactive groups: 0

Topological Properties
Globularity: 0.0665106	Sterimol/B1: 3.81371	Sterimol/B2: 3.98819	Sterimol/B3: 7.12642
Sterimol/B4: 7.24059	Sterimol/L: 18.1785

Surface and Volume Properties
Accessible surface: 670.767	Positive charged surface: 452.83	Negative charged surface: 201.608	Volume: 384.625
Hydrophobic surface: 634.925	Hydrophilic surface: 35.842

Pharmacophoric Properties
Hydrogen bond donors: 0	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.