MMsINC Database Search


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MMsINC code: MMs02577373

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(CC)c1ccc(NC(=O)C(OC(=O)c2ccc(cc2)-c2ccccc2)C)cc1

InChI:

InChI=1/C24H23NO4/c1-3-28-22-15-13-21(14-16-22)25-23(26)17(2)29-24(27)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-17H,3H2,1-2H3,(H,25,26)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.612 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.89422	SlogP: 4.9363	Reactive groups: 0

Topological Properties
Globularity: 0.0218196	Sterimol/B1: 2.70941	Sterimol/B2: 2.85549	Sterimol/B3: 4.32964
Sterimol/B4: 7.59341	Sterimol/L: 23.4911

Surface and Volume Properties
Accessible surface: 714.566	Positive charged surface: 406.992	Negative charged surface: 297.633	Volume: 384.875
Hydrophobic surface: 593.855	Hydrophilic surface: 120.711

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.