MMsINC Database Search


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MMsINC code: MMs01038402

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

o1c2c(cc(cc2)C)c(C)c1C(=O)N(Cc1ccc(cc1)C)Cc1occc1

InChI:

InChI=1/C24H23NO3/c1-16-6-9-19(10-7-16)14-25(15-20-5-4-12-27-20)24(26)23-18(3)21-13-17(2)8-11-22(21)28-23/h4-13H,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.51 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -7.41895	SlogP: 6.32646	Reactive groups: 0

Topological Properties
Globularity: 0.103314	Sterimol/B1: 2.53266	Sterimol/B2: 2.55144	Sterimol/B3: 5.59271
Sterimol/B4: 9.78249	Sterimol/L: 17.7607

Surface and Volume Properties
Accessible surface: 657.979	Positive charged surface: 377.648	Negative charged surface: 274.662	Volume: 374.375
Hydrophobic surface: 620.714	Hydrophilic surface: 37.265

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.