MMsINC Database Search


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MMsINC code: MMs00856362

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(CC(O)Cn1c2c(c3c1cccc3)cccc2)c1c(cc(cc1C)C)C

InChI:

InChI=1/C24H25NO2/c1-16-12-17(2)24(18(3)13-16)27-15-19(26)14-25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25/h4-13,19,26H,14-15H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0004 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -5.85251	SlogP: 5.42606	Reactive groups: 0

Topological Properties
Globularity: 0.0237478	Sterimol/B1: 2.86728	Sterimol/B2: 3.04241	Sterimol/B3: 5.93127
Sterimol/B4: 5.98186	Sterimol/L: 17.748

Surface and Volume Properties
Accessible surface: 640.188	Positive charged surface: 373.424	Negative charged surface: 255.379	Volume: 372.5
Hydrophobic surface: 615.158	Hydrophilic surface: 25.03

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.