MMsINC Database Search


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MMsINC code: MMs01826574

Type: Neutral
Formula: C₂₃H₂₃NO₃

SMILES:

O(CC)c1ccc(cc1)C(NC(=O)c1ccccc1)c1ccc(OC)cc1

InChI:

InChI=1/C23H23NO3/c1-3-27-21-15-11-18(12-16-21)22(17-9-13-20(26-2)14-10-17)24-23(25)19-7-5-4-6-8-19/h4-16,22H,3H2,1-2H3,(H,24,25)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7572 kcal/mol

Physical Properties
Molecular Weight: 361.441 g/mol	logS: -5.49478	SlogP: 4.7088	Reactive groups: 0

Topological Properties
Globularity: 0.231555	Sterimol/B1: 3.08406	Sterimol/B2: 5.74449	Sterimol/B3: 7.41122
Sterimol/B4: 8.45674	Sterimol/L: 14.1027

Surface and Volume Properties
Accessible surface: 667.622	Positive charged surface: 417.016	Negative charged surface: 250.606	Volume: 365.625
Hydrophobic surface: 596.589	Hydrophilic surface: 71.033

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.