MMsINC Database Search


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MMsINC code: MMs02604658

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O1c2c(cc(cc2)CC)C(=O)c2cc(C(OCCc3ccccc3)=O)c(nc12)C

InChI:

InChI=1/C24H21NO4/c1-3-16-9-10-21-19(13-16)22(26)20-14-18(15(2)25-23(20)29-21)24(27)28-12-11-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.483 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.57339	SlogP: 4.68856	Reactive groups: 0

Topological Properties
Globularity: 0.0273515	Sterimol/B1: 2.28791	Sterimol/B2: 2.60144	Sterimol/B3: 4.69299
Sterimol/B4: 8.96571	Sterimol/L: 21.0299

Surface and Volume Properties
Accessible surface: 682.954	Positive charged surface: 417.51	Negative charged surface: 265.444	Volume: 374.125
Hydrophobic surface: 570.603	Hydrophilic surface: 112.351

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.