MMsINC Database Search


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MMsINC code: MMs02240319

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1cc2c(cc1OC)ccnc2Cc1cc2cc(OC)c(OC)cc2cc1

InChI:

InChI=1/C24H23NO4/c1-26-21-11-16-6-5-15(9-18(16)13-23(21)28-3)10-20-19-14-24(29-4)22(27-2)12-17(19)7-8-25-20/h5-9,11-14H,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.19 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.03987	SlogP: 5.01317	Reactive groups: 0

Topological Properties
Globularity: 0.13515	Sterimol/B1: 2.74627	Sterimol/B2: 5.60034	Sterimol/B3: 5.96594
Sterimol/B4: 6.64973	Sterimol/L: 17.0135

Surface and Volume Properties
Accessible surface: 657.64	Positive charged surface: 499.419	Negative charged surface: 136.993	Volume: 378.25
Hydrophobic surface: 615.941	Hydrophilic surface: 41.699

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.