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MMsINC code: MMs01415146

Type: Neutral
Formula: C₂₄H₂₅NO₃

SMILES:

O(C(=O)c1c2c(cc3c1cccc3)cccc2)CC(=O)NCC1CCCCC1

InChI:

InChI=1/C24H25NO3/c26-22(25-15-17-8-2-1-3-9-17)16-28-24(27)23-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)23/h4-7,10-14,17H,1-3,8-9,15-16H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3285 kcal/mol

Physical Properties
Molecular Weight: 375.468 g/mol	logS: -7.86931	SlogP: 4.8463	Reactive groups: 0

Topological Properties
Globularity: 0.0353787	Sterimol/B1: 2.49283	Sterimol/B2: 3.4123	Sterimol/B3: 4.13799
Sterimol/B4: 9.62294	Sterimol/L: 18.9589

Surface and Volume Properties
Accessible surface: 683.991	Positive charged surface: 411.572	Negative charged surface: 250.277	Volume: 378
Hydrophobic surface: 608.614	Hydrophilic surface: 75.377

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.