MMsINC Database Search


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MMsINC code: MMs01982759

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O(C(=O)c1cc(ccc1)C)c1ccc(cc1)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C24H19NO4/c1-16-5-4-6-18(15-16)24(28)29-19-11-9-17(10-12-19)13-14-25-22(26)20-7-2-3-8-21(20)23(25)27/h2-12,15H,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1018 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -6.35208	SlogP: 4.05289	Reactive groups: 0

Topological Properties
Globularity: 0.0262071	Sterimol/B1: 2.44393	Sterimol/B2: 2.62862	Sterimol/B3: 4.70593
Sterimol/B4: 5.13205	Sterimol/L: 22.555

Surface and Volume Properties
Accessible surface: 671.98	Positive charged surface: 372.588	Negative charged surface: 299.392	Volume: 367.5
Hydrophobic surface: 567.999	Hydrophilic surface: 103.981

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.