MMsINC Database Search


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MMsINC code: MMs01646073

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)C(=O)N1CCCc2c1cccc2

InChI:

InChI=1/C24H23NO3/c1-27-23-16-20(13-14-22(23)28-17-18-8-3-2-4-9-18)24(26)25-15-7-11-19-10-5-6-12-21(19)25/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.843 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.50318	SlogP: 5.13357	Reactive groups: 0

Topological Properties
Globularity: 0.0530577	Sterimol/B1: 2.17469	Sterimol/B2: 2.21646	Sterimol/B3: 5.19984
Sterimol/B4: 8.25675	Sterimol/L: 20.4168

Surface and Volume Properties
Accessible surface: 671.254	Positive charged surface: 433.886	Negative charged surface: 237.369	Volume: 369.375
Hydrophobic surface: 630.488	Hydrophilic surface: 40.766

Pharmacophoric Properties
Hydrogen bond donors: 0	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.